QuartataWeb 1.0

137 known interactions (drugs) of input target (CDK2): Cyclin-dependent kinase 2

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter
1	Experimental	SmallMoleculeDrug	DB07164	N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine	C1CC1NC1=NC(=CC=N1)C1=C2C=CC=NN2N=C1
2	Experimental	SmallMoleculeDrug	DB08132	5-hydroxynaphthalene-1-sulfonamide	NS(=O)(=O)C1=C2C=CC=C(O)C2=CC=C1
3	Experimental	SmallMoleculeDrug	DB02963	(5-Chloropyrazolo[1,5-a]Pyrimidin-7-Yl)-(4-Methanesulfonylphenyl)Amine	CS(=O)(=O)C1=CC=C(NC2=CC(Cl)=NC3=CC=NN23)C=C1
4	Experimental	SmallMoleculeDrug	DB07203	6-CYCLOHEXYLMETHOXY-2-(3'-CHLOROANILINO) PURINE	ClC1=CC=CC(NC2=NC(OCC3CCCCC3)=C3NC=NC3=N2)=C1
5	Experimental	SmallMoleculeDrug	DB07431	(3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-5H-[1]benzothieno[3,2-e][1,4]diazepin-5-one	[H][C@@]1(CN)CNC2=C(SC3=C2C=C(OC)C=C3)C(=O)N1
6	Experimental	SmallMoleculeDrug	DB04662	OLOMOUCINE II	[H][C@@](CC)(CO)NC1=NC2=C(N=CN2C(C)C)C(NCC2=CC=CC=C2O)=N1
7	Experimental	SmallMoleculeDrug	DB07540	4-{5-[(1Z)-1-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)ETHYL]-2-FURYL}BENZENESULFONAMIDE	C\C(C1=CC=C(O1)C1=CC=C(C=C1)S(N)(=O)=O)=C1\SC(=N)NC1=O
8	Experimental	SmallMoleculeDrug	DB07791	4-{[4-(1-CYCLOPROPYL-2-METHYL-1H-IMIDAZOL-5-YL)PYRIMIDIN-2-YL]AMINO}-N-METHYLBENZENESULFONAMIDE	CNS(=O)(=O)C1=CC=C(NC2=NC(=CC=N2)C2=CN=C(C)N2C2CC2)C=C1
9	Experimental	SmallMoleculeDrug	DB08527	1-[4-(AMINOSULFONYL)PHENYL]-1,6-DIHYDROPYRAZOLO[3,4-E]INDAZOLE-3-CARBOXAMIDE	NC(=O)C1=NN(C2=C1C=CC1=C2C=NN1)C1=CC=C(C=C1)S(N)(=O)=O
10	Experimental	SmallMoleculeDrug	DB02898	5-{[(2-Amino-9h-Purin-6-Yl)Oxy]Methyl}-2-Pyrrolidinone	[H][C@]1(COC2=NC(=N)NC3=C2N=CN3)CCC(O)=N1
11	Experimental	SmallMoleculeDrug	DB08677	N-(5-ISOPROPYL-THIAZOL-2-YL)-2-PYRIDIN-3-YL-ACETAMIDE	CC(C)C1=CN\C(S1)=N\C(=O)CC1=CC=CN=C1
12	Experimental	SmallMoleculeDrug	DB07731	4-[(E)-(3,5-DIAMINO-1H-PYRAZOL-4-YL)DIAZENYL]PHENOL	NC1=C(\N=N\C2=CC=C(O)C=C2)C(N)=NN1
13	Experimental	SmallMoleculeDrug	DB02733	Purvalanol	[H][C@@](CO)(NC1=NC2=C(N=CN2C(C)C)C(NC2=CC=C(C(O)=O)C(Cl)=C2)=N1)C(C)C
14	Experimental	SmallMoleculeDrug	DB07595	(5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)-1,5-DIHYDROPYRAZOLO[1,5-A]PYRIMIDIN-7-AMINE	BrC1=CC=CC(=C1)C1=NC2=[N+](NC=C2)C(NCC2=CC=NC=C2)=C1
15	Experimental	SmallMoleculeDrug	DB08134	4-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide	NS(=O)(=O)C1=CC=C(NC2=NC(Cl)=CN=C2)C=C1
16	Experimental; Investigational	SmallMoleculeDrug	DB03496	Alvocidib	CN1CC[C@@H]([C@H](O)C1)C1=C(O)C=C(O)C2=C1OC(=CC2=O)C1=CC=CC=C1Cl
17	Experimental	SmallMoleculeDrug	DB02197	4-[(4-Imidazo[1,2-a]Pyridin-3-Ylpyrimidin-2-Yl)Amino]Benzenesulfonamide	NS(=O)(=O)C1=CC=C(NC2=NC(=CC=N2)C2=CN=C3C=CC=CN23)C=C1
18	Experimental	SmallMoleculeDrug	DB07065	5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)-3-thiocyanatopyrazolo[1,5-a]pyrimidin-7-amine	ClC1=C(Cl)C(=CC=C1)C1=NC2=C(SC#N)C=NN2C(NCC2=CC=NC=C2)=C1
19	Experimental	SmallMoleculeDrug	DB07471	5-[5,6-BIS(METHYLOXY)-1H-BENZIMIDAZOL-1-YL]-3-{[1-(2-CHLOROPHENYL)ETHYL]OXY}-2-THIOPHENECARBOXAMIDE	[H][C@](C)(OC1=C(SC(=C1)N1C=NC2=CC(OC)=C(OC)C=C12)C(N)=O)C1=CC=CC=C1Cl
20	Experimental	SmallMoleculeDrug	DB04407	4-[4-(4-Methyl-2-Methylamino-Thiazol-5-Yl)-Pyrimidin-2-Ylamino]-Phenol	CNC1=NC(C)=C(S1)C1=CC=NC(NC2=CC=C(O)C=C2)=N1
21	Experimental	SmallMoleculeDrug	DB03663	1-[(2-Amino-6,9-Dihydro-1h-Purin-6-Yl)Oxy]-3-Methyl-2-Butanol	CC(C)C(=O)COC1=NC(N)=NC2=C1NC=N2
22	Experimental	SmallMoleculeDrug	DB02091	4-(2,4-Dimethyl-Thiazol-5-Yl)-Pyrimidin-2-Ylamine	CC1=NC(C)=C(S1)C1=NC(N)=NC=C1
23	Experimental	SmallMoleculeDrug	DB04288	2-[Trans-(4-Aminocyclohexyl)Amino]-6-(Benzyl-Amino)-9-Cyclopentylpurine	[H][C@]1(N)CC[C@@]([H])(CC1)NC1=NC(NCC2=CC=CC=C2)=C2N=CN(C3CCCC3)C2=N1
24	Experimental	SmallMoleculeDrug	DB07761	(2R)-1-[4-({6-[(2,6-Difluorophenyl)amino]-4-pyrimidinyl}amino)phenoxy]-3-(dimethylamino)-2-propanol	[H]N(C1=CC=C(OC[C@H](O)CN(C)C)C=C1)C1=CC(=NC=N1)N([H])C1=C(F)C=CC=C1F
25	Experimental	SmallMoleculeDrug	DB04607	PHENYLAMINOIMIDAZO(1,2-ALPHA)PYRIDINE	NS(=O)(=O)C1=CC=C(NC2=CN3C=C(C=CC3=N2)C(=O)C2=C(Cl)C=CC=C2Cl)C=C1
26	Experimental	SmallMoleculeDrug	DB07137	(2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-1-YL)PHENYL]PROPANAMIDE	[H][C@@](C)(C(=O)\N=C1/C=C(N=N1)C1CC1)C1=CC=C(C=C1)N1CCN=C1O
27	Experimental	SmallMoleculeDrug	DB03490	3-Pyridin-4-Yl-2,4-Dihydro-Indeno[1,2-.C.]Pyrazole	C1C2=C(C=CC=C2)C2=NNC(=C12)C1=CC=NC=C1
28	Experimental	SmallMoleculeDrug	DB07562	N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-N',N'-DIMETHYL-BENZENE-1,4-DIAMINE	CN(C)C1=CC=C(NC2=NC(=CC=N2)C2=C(C)N=C(C)S2)C=C1
29	Experimental	SmallMoleculeDrug	DB08133	N-(4-sulfamoylphenyl)-1H-indazole-3-carboxamide	NS(=O)(=O)C1=CC=C(NC(=O)C2=NNC3=C2C=CC=C3)C=C1
30	Experimental	SmallMoleculeDrug	DB08312	6-CYCLOHEXYLMETHYLOXY-5-NITROSO-PYRIMIDINE-2,4-DIAMINE	NC1=NC(N)=C(N=O)C(OCC2CCCCC2)=N1
31	Experimental	SmallMoleculeDrug	DB08136	4-(acetylamino)-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide	CC(=O)NC1=CNN=C1C(=O)NC1=CC=C(F)C=C1
32	Experimental	SmallMoleculeDrug	DB07612	6-(3-AMINOPHENYL)-N-(TERT-BUTYL)-2-(TRIFLUOROMETHYL)QUINAZOLIN-4-AMINE	CC(C)(C)NC1=NC(=NC2=C1C=C(C=C2)C1=CC=CC(N)=C1)C(F)(F)F
33	Experimental	SmallMoleculeDrug	DB08182	4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine	CCCOC1=C2C(NC=C2C2=NC(N)=NC=C2)=NC=C1
34	Experimental	SmallMoleculeDrug	DB08539	3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine	C(NC1=CC(=NC2=C(C=NN12)C1CC1)C1=CC=CC=C1)C1=CN=CC=C1
35	Experimental	SmallMoleculeDrug	DB08355	1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid	CN1N=C(C(O)=O)C2=C1C1=NC(NC3=CC=CC=C3)=NC=C1CC2
36	Experimental	SmallMoleculeDrug	DB04518	3-[4-(2,4-Dimethyl-Thiazol-5-Yl)-Pyrimidin-2-Ylamino]-Phenol	CC1=NC(C)=C(S1)C1=NC(NC2=CC=CC(O)=C2)=NC=C1
37	Experimental	SmallMoleculeDrug	DB07529	2-IMINO-5-(1-PYRIDIN-2-YL-METH-(E)-YLIDENE)-1,3-THIAZOLIDIN-4-ONE	N=C1NC(=O)\C(S1)=C/C1=CC=CC=N1
38	Experimental	SmallMoleculeDrug	DB08309	3-({2-[(4-{[6-(CYCLOHEXYLMETHOXY)-9H-PURIN-2-YL]AMINO}PHENYL)SULFONYL]ETHYL}AMINO)PROPAN-1-OL	OCCCNCCS(=O)(=O)C1=CC=C(NC2=NC(OCC3CCCCC3)=C3N=CNC3=N2)C=C1
39	Experimental	SmallMoleculeDrug	DB08135	N-phenyl-1H-pyrazole-3-carboxamide	O=C(NC1=CC=CC=C1)C1=NNC=C1
40	Experimental	SmallMoleculeDrug	DB02833	[4-(2-Amino-4-Methyl-Thiazol-5-Yl)-Pyrimidin-2-Yl]-(3-Nitro-Phenyl)-Amine	CC1=C(SC(N)=N1)C1=NC(NC2=CC=CC(=C2)[N+]([O-])=O)=NC=C1
41	Experimental	SmallMoleculeDrug	DB01888	4-[5-(Trans-4-Aminocyclohexylamino)-3-Isopropylpyrazolo[1,5-a]Pyrimidin-7-Ylamino]-N,N-Dimethylbenzenesulfonamide	CC(C)C1=C2N=C(N[C@H]3CC[C@H](N)CC3)C=C(NC3=CC=C(C=C3)S(=O)(=O)N(C)C)N2N=C1
42	Experimental	SmallMoleculeDrug	DB03583	(2e,3s)-3-Hydroxy-5'-[(4-Hydroxypiperidin-1-Yl)Sulfonyl]-3-Methyl-1,3-Dihydro-2,3'-Biindol-2'(1'h)-One	OC1CCN(CC1)S(=O)(=O)C1=CC2=C(C=C1)NC(=O)\C2=C1/NC2=C(C=CC=C2)[C@]1(C)O
43	Experimental	SmallMoleculeDrug	DB02297	2-Amino-6-Chloropyrazine	NC1=CN=CC(Cl)=N1
44	Experimental	SmallMoleculeDrug	DB08138	{[(2,6-difluorophenyl)carbonyl]amino}-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide	FC1=CC=C(NC(=O)C2=NNC=C2NC(=O)C2=C(F)C=CC=C2F)C=C1
45	Experimental	SmallMoleculeDrug	DB07024	2-(3,4-DIHYDROXYPHENYL)-8-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)-3-HYDROXY-6-METHYL-4H-CHROMEN-4-ONE	CC1=CC(N2CCCS2(=O)=O)=C2OC(=C(O)C(=O)C2=C1)C1=CC=C(O)C(O)=C1
46	Experimental	SmallMoleculeDrug	DB04186	N'-(Pyrrolidino[2,1-B]Isoindolin-4-On-8-Yl)-N-(Pyridin-2-Yl)Urea	[H][C@]12CCCN1C(=O)C1=C2C(NC(=O)NC2=CC=CC=N2)=CC=C1
47	Experimental	SmallMoleculeDrug	DB08066	N-[3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRAZOL-4-YL]BENZAMIDE	O=C(NC1=CNN=C1C1=NC2=C(N1)C=CC=C2)C1=CC=CC=C1
48	Experimental	SmallMoleculeDrug	DB06888	(13R,15S)-13-METHYL-16-OXA-8,9,12,22,24-PENTAAZAHEXACYCLO[15.6.2.16,9.1,12,15.0,2,7.0,21,25]HEPTACOSA-1(24),2,4,6,17(25),18,20-HEPTAENE-23,26-DIONE	[H][C@]12CN(CCN3NC4=C(C=CC=C4C3=O)C3=NC4=C(NC3=O)C=CC=C4O1)[C@]([H])(C)C2
49	Experimental	SmallMoleculeDrug	DB07531	4-{5-[(Z)-(2,4-DIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE	NS(=O)(=O)C1=CC=C(C=C1)C1=CC=C(O1)\C=C1/SC(=O)NC1=O
50	Experimental	SmallMoleculeDrug	DB03737	4-((3r,4s,5r)-4-Amino-3,5-Dihydroxy-Hex-1-Ynyl)-5-Fluoro-3-[1-(3-Methoxy-1h-Pyrrol-2-Yl)-Meth-(Z)-Ylidene]-1,3-Dihydro-Indol-2-One	[H][C@](C)(O)[C@]([H])(N)[C@]([H])(O)C#CC1=C(F)C=CC2=C1\C(=C\C1=C(OC)C=CN1)C(=O)N2
51	Experimental	SmallMoleculeDrug	DB08137	(4E)-N-(4-fluorophenyl)-4-[(phenylcarbonyl)imino]-4H-pyrazole-3-carboxamide	FC1=CC=C(NC(=O)C2=NNC=C2NC(=O)C2=CC=CC=C2)C=C1
52	Experimental	SmallMoleculeDrug	DB08122	N-METHYL-4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE	CNS(=O)(=O)C1=CC=C(N\C=C2/C(=O)NC3=C2C=CC=C3)C=C1
53	Experimental	SmallMoleculeDrug	DB07493	(2Z)-5'-BROMO-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE AMMONIATE	BrC1=CC2=C(NC(=O)\C2=C2/NC3=C(C=CC=C3)C2=O)C=C1
54	Experimental	SmallMoleculeDrug	DB06944	N-(3-cyclopropyl-1H-pyrazol-5-yl)-2-(2-naphthyl)acetamide	O=C(CC1=CC2=C(C=CC=C2)C=C1)NC1=CC(=NN1)C1CC1
55	Experimental	SmallMoleculeDrug	DB02116	Olomoucine	CN1C=NC2=C1N=C(NCCO)N=C2NCC1=CC=CC=C1
56	Experimental	SmallMoleculeDrug	DB06983	(5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol	OCC1=C2N=C(C=C(NCC3=CN=CC=C3)N2N=C1)C1=CC=CC=C1
57	Experimental	SmallMoleculeDrug	DB06948	2-ANILINO-6-CYCLOHEXYLMETHOXYPURINE	C(OC1=C2NC=NC2=NC(NC2=CC=CC=C2)=N1)C1CCCCC1
58	Experimental	SmallMoleculeDrug	DB07163	5-[(2-AMINOETHYL)AMINO]-6-FLUORO-3-(1H-PYRROL-2-YL)BENZO[CD]INDOL-2(1H)-ONE	NCCNC1=CC(C2=CC=CN2)=C2C(=O)NC3=CC=C(F)C1=C23
59	Experimental	SmallMoleculeDrug	DB08124	3-{[(2,2-DIOXIDO-1,3-DIHYDRO-2-BENZOTHIEN-5-YL)AMINO]METHYLENE}-5-(1,3-OXAZOL-5-YL)-1,3-DIHYDRO-2H-INDOL-2-ONE	O=C1NC2=CC=C(C=C2\C1=C\NC1=CC2=C(CS(=O)(=O)C2)C=C1)C1=CN=CO1
60	Experimental	SmallMoleculeDrug	DB02973	4-(5-Bromo-2-Oxo-2h-Indol-3-Ylazo)-Benzenesulfonamide	NS(=O)(=O)C1=CC=C(C=C1)\N=N\C1=C2C=C(Br)C=CC2=NC1=O
61	Experimental	SmallMoleculeDrug	DB08241	4-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)--BENZAMIDE	NC(=O)C1=CC=C(NC2=NC(OCC3CCCCC3)=C3N=CNC3=N2)C=C1
62	Experimental	SmallMoleculeDrug	DB08532	6-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine	FC1=CC=CC=C1C1=CN2C=CN=C2C(NCC2=CC=CN=C2)=N1
63	Experimental	SmallMoleculeDrug	DB08123	N-METHYL-{4-[2-(7-OXO-6,7-DIHYDRO-8H-[1,3]THIAZOLO[5,4-E]INDOL-8-YLIDENE)HYDRAZINO]PHENYL}METHANESULFONAMIDE	CNS(=O)(=O)CC1=CC=C(N\N=C2/C(=O)NC3=C2C2=C(C=C3)N=CS2)C=C1
64	Experimental	SmallMoleculeDrug	DB04006	[2-Amino-6-(2,6-Difluoro-Benzoyl)-Imidazo[1,2-a]Pyridin-3-Yl]-Phenyl-Methanone	NC1=C(N2C=C(C=CC2=N1)C(=O)C1=C(F)C=CC=C1F)C(=O)C1=CC=CC=C1
65	Experimental	SmallMoleculeDrug	DB08126	3-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-2-OXO-2,3-DIHYDRO-1H-INDOLE	NC(=N)NS(=O)(=O)C1=CC=C(N\C=C2/C(=O)NC3=C2C=CC=C3)C=C1
66	Experimental	SmallMoleculeDrug	DB02915	4-(2,4-Dimethyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]-2-pyrimidinamine	CC1=NC(C)=C(S1)C1=CC=NC(NC2=CC=C(C=C2)C(F)(F)F)=N1
67	Experimental	SmallMoleculeDrug	DB03019	4-(2,5-Dichloro-Thiophen-3-Yl)-Pyrimidin-2-Ylamine	NC1=NC=CC(=N1)C1=C(Cl)SC(Cl)=C1
68	Experimental	SmallMoleculeDrug	DB03307	4-[(6-Amino-4-Pyrimidinyl)Amino]Benzenesulfonamide	NC1=NC=NC(NC2=CC=C(C=C2)S(N)(=O)=O)=C1
69	Experimental	SmallMoleculeDrug	DB08531	5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine	ClC1=CC=CC(=C1Cl)C1=NC2=CC=NN2C(NCC2=CC=NC=C2)=C1
70	Experimental	SmallMoleculeDrug	DB08572	4-{[4-AMINO-6-(CYCLOHEXYLMETHOXY)-5-NITROSOPYRIMIDIN-2-YL]AMINO}BENZAMIDE	NC(=O)C1=CC=C(NC2=NC(OCC3CCCCC3)=C(N=O)C(N)=N2)C=C1
71	Experimental	SmallMoleculeDrug	DB08441	6-BROMO-13-THIA-2,4,8,12,19-PENTAAZATRICYCLO[12.3.1.1~3,7~]NONADECA-1(18),3(19),4,6,14,16-HEXAENE 13,13-DIOXIDE	BrC1=C2NCCCNS(=O)(=O)C3=CC=CC(NC(N=C1)=N2)=C3
72	Experimental	SmallMoleculeDrug	DB08248	3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE	NS(=O)(=O)C1=CC=CC(NC2=NC(OCC3CCCCC3)=C3N=CNC3=N2)=C1
73	Experimental	SmallMoleculeDrug	DB08534	5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine	FC1=CC=CC=C1C1=NC2=CC=NN2C(NCC2=CC=NC=C2)=C1
74	Experimental	SmallMoleculeDrug	DB08094	(4-AMINO-2-{[1-(METHYLSULFONYL)PIPERIDIN-4-YL]AMINO}PYRIMIDIN-5-YL)(2,3-DIFLUORO-6-METHOXYPHENYL)METHANONE	COC1=C(C(=O)C2=CN=C(NC3CCN(CC3)S(C)(=O)=O)N=C2N)C(F)=C(F)C=C1
75	Experimental	SmallMoleculeDrug	DB08673	4-[(5-ISOPROPYL-1,3-THIAZOL-2-YL)AMINO]BENZENESULFONAMIDE	CC(C)C1=CN=C(NC2=CC=C(C=C2)S(N)(=O)=O)S1
76	Experimental	SmallMoleculeDrug	DB07686	4-{[5-(CYCLOHEXYLAMINO)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE	NS(=O)(=O)C1=CC=C(NC2=CC(NC3CCCCC3)=NC3=NC=NN23)C=C1
77	Experimental	SmallMoleculeDrug	DB08125	4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE	O=C1NC2=CC=CC=C2\C1=C\NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CS1
78	Experimental	SmallMoleculeDrug	DB07889	(2S)-1-(Dimethylamino)-3-(4-{[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyrimidinyl]amino}phenoxy)-2-propanol	[H]N(C1=CC=C(OC[C@@H](O)CN(C)C)C=C1)C1=NC=CC(=N1)C1=C(C)N=C2C=CC=CN12
79	Experimental	SmallMoleculeDrug	DB08140	5-[(4-AMINOCYCLOHEXYL)AMINO]-7-(PROPAN-2-YLAMINO)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE	[H][C@]1(N)CC[C@@]([H])(CC1)NC1=NC2=C(C=NN2C(NC(C)C)=C1)C#N
80	Experimental	SmallMoleculeDrug	DB07936	N-(4-{[(3S)-3-(dimethylamino)pyrrolidin-1-yl]carbonyl}phenyl)-5-fluoro-4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-amine	[H][C@@]1(CCN(C1)C(=O)C1=CC=C(NC2=NC(C3=CN=C(C)N3C(C)C)=C(F)C=N2)C=C1)N(C)C
81	Experimental	SmallMoleculeDrug	DB03428	SU9516	COC1=CC=C2NC(=O)\C(=C/C3=CN=CN3)C2=C1
82	Experimental	SmallMoleculeDrug	DB08247	6-(CYCLOHEXYLMETHOXY)-8-ISOPROPYL-9H-PURIN-2-AMINE	CC(C)C1=NC2=C(OCC3CCCCC3)N=C(N)N=C2N1
83	Experimental	SmallMoleculeDrug	DB08533	3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine	CC1=CN=C2N1C=CN=C2NCC1=CC=NC=C1
84	Experimental	SmallMoleculeDrug	DB08218	HYDROXY(OXO)(3-{[(2Z)-4-[3-(1H-1,2,4-TRIAZOL-1-YLMETHYL)PHENYL]PYRIMIDIN-2(5H)-YLIDENE]AMINO}PHENYL)AMMONIUM	O=N(=O)C1=CC=CC(=C1)\N=C1\N=CCC(=N1)C1=CC=CC(CN2C=NC=N2)=C1
85	Experimental	SmallMoleculeDrug	DB04101	N-[4-(2,4-Dimethyl-1,3-Thiazol-5-Yl)Pyrimidin-2-Yl]-N'-Hydroxyimidoformamide	CC1=NC(C)=C(S1)C1=CC=NC(N\C=N/O)=N1
86	Experimental	SmallMoleculeDrug	DB07685	4-{[5-(CYCLOHEXYLMETHOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE	NS(=O)(=O)C1=CC=C(NC2=CC(OCC3CCCCC3)=NC3=NC=NN23)C=C1
87	Experimental	SmallMoleculeDrug	DB08536	3-bromo-5-phenyl-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine	BrC1=C2C=C(C=C(NCC3=CN=CN=C3)N2N=C1)C1=CC=CC=C1
88	Experimental	SmallMoleculeDrug	DB07534	4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE	NS(=O)(=O)C1=CC=C(C=C1)C1=CC=C(O1)\C=C1/SC(=N)NC1=O
89	Experimental	SmallMoleculeDrug	DB07688	4-{[5-(CYCLOHEXYLOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE	NS(=O)(=O)C1=CC=C(NC2=CC(OC3CCCCC3)=NC3=NC=NN23)C=C1
90	Experimental	SmallMoleculeDrug	DB08139	5-chloro-7-[(1-methylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile	CC(C)NC1=CC(Cl)=NC2=C(C=NN12)C#N
91	Experimental	SmallMoleculeDrug	DB07982	2-{4-[4-({4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-yl}amino)phenyl]piperazin-1-yl}-2-oxoethanol	CC(C)N1C(C)=NC=C1C1=NC(NC2=CC=C(C=C2)N2CCN(CC2)C(=O)CO)=NC=C1
92	Experimental	SmallMoleculeDrug	DB07210	3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine	BrC1=C2N=C(C=C(NCC3=CC=NC=C3)N2N=C1)C1=CC=CC=C1
93	Experimental	SmallMoleculeDrug	DB07179	3-((3-bromo-5-o-tolylpyrazolo[1,5-a]pyrimidin-7-ylamino)methyl)pyridine 1-oxide	CC1=C(C=CC=C1)C1=NC2=C(Br)C=NN2C(NCC2=C[N+]([O-])=CC=C2)=C1
94	Experimental	SmallMoleculeDrug	DB07606	6-(3,4-DIHYDROXYBENZYL)-3-ETHYL-1-(2,4,6-TRICHLOROPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4(5H)-ONE	CCC1=NN(C2=C1C(=O)NC(CC1=CC(O)=C(O)C=C1)=N2)C1=C(Cl)C=C(Cl)C=C1Cl
95	Experimental	SmallMoleculeDrug	DB08142	4-{[(2,6-dichlorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide	ClC1=CC=CC(Cl)=C1C(=O)NC1=CNN=C1C(=O)NC1CCNCC1
96	Experimental	SmallMoleculeDrug	DB07618	2-(4-(AMINOMETHYL)PIPERIDIN-1-YL)-N-(3_CYCLOHEXYL-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)ACETAMIDE	NCC1CCN(CC(=O)NC2=CC=CC3=C2C(=O)C2=C(NN=C32)C2CCCCC2)CC1
97	Experimental	SmallMoleculeDrug	DB06844	4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE	O=C1N=C2C=CC3=C(SC=N3)C2=C1CNC1=CC=C(C=C1)S(=O)(=O)NC1=CC=CC=N1
98	Experimental	SmallMoleculeDrug	DB08535	3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine	BrC1=C2N=C(C=C(NCC3=CC=CN=C3)N2N=C1)C1=CC=CC=C1
99	Experimental	SmallMoleculeDrug	DB07533	4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-2-FURYL}-N-METHYLBENZENESULFONAMIDE	CNS(=O)(=O)C1=CC=C(C=C1)C1=CC=C(O1)\C=C1/SC(=N)NC1=O
100	Experimental	SmallMoleculeDrug	DB02647	N-(5-Cyclopropyl-1h-Pyrazol-3-Yl)Benzamide	O=C(NC1=CC(=NN1)C1CC1)C1=CC=CC=C1
101	Experimental	SmallMoleculeDrug	DB07622	1-(3-(2,4-DIMETHYLTHIAZOL-5-YL)-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)-3-(4-METHYLPIPERAZIN-1-YL)UREA	CN1CCN(CC1)NC(=O)NC1=CC=CC2=C1C(=O)C1=C(NN=C21)C1=C(C)N=C(C)S1
102	Experimental	SmallMoleculeDrug	DB07687	4-({5-[(4-AMINOCYCLOHEXYL)AMINO][1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL}AMINO)BENZENESULFONAMIDE	[H][C@]1(N)CC[C@@]([H])(CC1)NC1=NC2=NC=NN2C(NC2=CC=C(C=C2)S(N)(=O)=O)=C1
103	Experimental	SmallMoleculeDrug	DB08538	N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine	CCC1=C2N=C(C=C(NCC3=CN=C(N)N=C3)N2N=C1)C1=C(F)C=CC=C1F
104	Experimental	SmallMoleculeDrug	DB08768	N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-6-AMINE	CC(C)=CCNC1=C2N=CNC2=NC=N1
105	Experimental	SmallMoleculeDrug	DB07220	N-[5-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)-1H-INDAZOL-3-YL]-2-(4-PIPERIDIN-1-YLPHENYL)ACETAMIDE	O=C(CC1=CC=C(C=C1)N1CCCCC1)NC1=NNC2=C1C=C(C=C2)N1CCCS1(=O)=O
106	Experimental	SmallMoleculeDrug	DB08694	9-amino-5-(2-aminopyrimidin-4-yl)pyrido[3',2':4,5]pyrrolo[1,2-c]pyrimidin-4-ol	NC1=NC=CC(=N1)C1=C2C=CN=C(N)N2C2=NC=CC(O)=C12
107	Experimental	SmallMoleculeDrug	DB08463	(2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol	[H][C@@](CC)(CO)NC1=NC2=C(N=CN2C(C)C)C(NCC2=CC=C(C=C2)C2=CC=CC=N2)=N1
108	Experimental	SmallMoleculeDrug	DB08141	4-{[(2,6-difluorophenyl)carbonyl]amino}-N-[(3S)-piperidin-3-yl]-1H-pyrazole-3-carboxamide	[H][C@@]1(CCCNC1)NC(=O)C1=NNC=C1NC(=O)C1=C(F)C=CC=C1F
109	Experimental	SmallMoleculeDrug	DB04669	TRIAZOLOPYRIMIDINE	BrC1=CC=CC(=C1)C1=NC2=[N+](NC=N2)C(NCC2=CC=NC=C2)=C1
110	Experimental	SmallMoleculeDrug	DB02538	N-[4-(2-Methylimidazo[1,2-a]Pyridin-3-Yl)-2-Pyrimidinyl]Acetamide	CC(=O)NC1=NC(=CC=N1)C1=C(C)N=C2C=CC=CN12
111	Experimental	SmallMoleculeDrug	DB08219	4-METHYL-5-{(2E)-2-[(4-MORPHOLIN-4-YLPHENYL)IMINO]-2,5-DIHYDROPYRIMIDIN-4-YL}-1,3-THIAZOL-2-AMINE	CC1=C(SC(=N)N1)C1=N\C(=N/C2=CC=C(C=C2)N2CCOCC2)N=CC1
112	Experimental	SmallMoleculeDrug	DB02950	Hymenialdisine	[H][C@@]12C=C(Br)N=C1C(=O)NCC[C@]2([H])C1=NC(N)=NC1=O
113	Experimental	SmallMoleculeDrug	DB08233	6-CYCLOHEXYLMETHYLOXY-2-(4'-HYDROXYANILINO)PURINE	OC1=CC=C(NC2=NC(OCC3CCCCC3)=C3N=CNC3=N2)C=C1
114	Experimental	SmallMoleculeDrug	DB08537	3-bromo-6-phenyl-N-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-8-amine	BrC1=CN=C2N1C=C(C=C2NCC1=CN=CN=C1)C1=CC=CC=C1
115	Experimental	SmallMoleculeDrug	DB03365	4-[3-Hydroxyanilino]-6,7-Dimethoxyquinazoline	COC1=CC2=NC=NC(NC3=CC(O)=CC=C3)=C2C=C1OC
116	Experimental	SmallMoleculeDrug	DB06976	1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-PYRROLO[2,1-A]ISOINDOL-9-YL)-3-(5-PYRROLIDIN-2-YL-1H-PYRAZOL-3-YL)-UREA	[H][C@]1(CCCN1)C1=CC(NC(=O)NC2=CC=CC3=C2[C@]2([H])CCCN2C3=O)=NN1
117	Approved	SmallMoleculeDrug	DB06616	Bosutinib	COC1=CC(NC2=C(C=NC3=CC(OCCCN4CCN(C)CC4)=C(OC)C=C23)C#N)=C(Cl)C=C1Cl
118	Experimental	SmallMoleculeDrug	DB07751	(2S)-1-[4-({6-[(2,6-Difluorophenyl)amino]-4-pyrimidinyl}amino)phenoxy]-3-(dimethylamino)-2-propanol	[H]N(C1=CC=C(OC[C@@H](O)CN(C)C)C=C1)C1=CC(=NC=N1)N([H])C1=C(F)C=CC=C1F
119	Experimental	SmallMoleculeDrug	DB07539	4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZOIC ACID	OC(=O)C1=CC=C(C=C1)C1=CC=C(O1)\C=C1/SC(=N)NC1=O
120	Experimental	SmallMoleculeDrug	DB07790	N-(2-METHOXYETHYL)-4-({4-[2-METHYL-1-(1-METHYLETHYL)-1H-IMIDAZOL-5-YL]PYRIMIDIN-2-YL}AMINO)BENZENESULFONAMIDE	COCCNS(=O)(=O)C1=CC=C(NC2=NC(=CC=N2)C2=CN=C(C)N2C(C)C)C=C1
121	Experimental	SmallMoleculeDrug	DB03801	Lysine Nz-Carboxylic Acid	N[C@@H](CCCCNC(O)=O)C(O)=O
122	Experimental	SmallMoleculeDrug	DB08178	4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine	COC1=C2C(NC=C2C2=NC(N)=NC=C2)=NC=C1
123	Experimental	SmallMoleculeDrug	DB02010	Staurosporine	[H][C@]1(C[C@@]2([H])O[C@](C)(N3C4=CC=CC=C4C4=C5CNC(=O)C5=C5C6=CC=CC=C6N2C5=C34)[C@]1([H])OC)NC
124	Investigational	SmallMoleculeDrug	DB06195	Seliciclib	CC[C@H](CO)NC1=NC(NCC2=CC=CC=C2)=C2N=CN(C(C)C)C2=N1
125	Experimental	SmallMoleculeDrug	DB07501	(2S)-1-{4-[(4-Anilino-5-bromo-2-pyrimidinyl)amino]phenoxy}-3-(dimethylamino)-2-propanol	[H]N(C1=CC=C(OC[C@@H](O)CN(C)C)C=C1)C1=NC=C(Br)C(=N1)N([H])C1=CC=CC=C1
126	Investigational	SmallMoleculeDrug	DB05037	AT7519	NA
127	Experimental	SmallMoleculeDrug	DB07750	(2R)-1-[4-({4-[(2,5-Dichlorophenyl)amino]-2-pyrimidinyl}amino)phenoxy]-3-(dimethylamino)-2-propanol	[H]N(C1=CC=C(OC[C@H](O)CN(C)C)C=C1)C1=NC=CC(=N1)N([H])C1=C(Cl)C=CC(Cl)=C1
128	Experimental	SmallMoleculeDrug	DB02407	6-O-Cyclohexylmethyl Guanine	NC1=NC(OCC2CCCCC2)=C2N=CNC2=N1
129	Experimental	SmallMoleculeDrug	DB07538	4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}-2-(TRIFLUOROMETHYL)BENZENESULFONAMIDE	NS(=O)(=O)C1=CC=C(C=C1C(F)(F)F)C1=CC=C(O1)\C=C1/SC(=N)NC1=O
130	Experimental	SmallMoleculeDrug	DB07504	(2R)-1-{4-[(4-Anilino-5-bromo-2-pyrimidinyl)amino]phenoxy}-3-(dimethylamino)-2-propanol	[H]N(C1=CC=C(OC[C@H](O)CN(C)C)C=C1)C1=NC=C(Br)C(=N1)N([H])C1=CC=CC=C1
131	Experimental	SmallMoleculeDrug	DB07755	(2S)-1-[4-({4-[(2,5-Dichlorophenyl)amino]-2-pyrimidinyl}amino)phenoxy]-3-(dimethylamino)-2-propanol	[H]N(C1=CC=C(OC[C@@H](O)CN(C)C)C=C1)C1=NC=CC(=N1)N([H])C1=C(Cl)C=CC(Cl)=C1
132	Experimental	SmallMoleculeDrug	DB02052	Indirubin-3'-Monoxime	O\N=C1\C(\NC2=C\1C=CC=C2)=C1\C(=O)NC2=C1C=CC=C2
133	Experimental	SmallMoleculeDrug	DB08285	(2R)-2-{[4-(benzylamino)-8-(1-methylethyl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino}butan-1-ol	[H][C@@](CC)(CO)NC1=NC2=C(C=NN2C(NCC2=CC=CC=C2)=N1)C(C)C
134	Experimental	SmallMoleculeDrug	DB02603	1-Amino-6-Cyclohex-3-Enylmethyloxypurine	NC1=NC(OCC2CCCCC2)=C2N=CNC2=C1
135	Experimental	SmallMoleculeDrug	DB07054	(2R)-1-(DIMETHYLAMINO)-3-{4-[(6-{[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENOXY}PROPAN-2-OL	[H][C@](O)(COC1=CC=C(NC2=NC=NC(NC3=C(F)C=CC(=C3)C(F)(F)F)=C2)C=C1)CN(C)C
136	Experimental	SmallMoleculeDrug	DB07126	O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE	NS(=O)(=O)C1=CC=C(NC2=NC(OCC3CCCCC3)=C3N=CNC3=N2)C=C1
137	Experimental	SmallMoleculeDrug	DB07852	1-(3,5-DICHLOROPHENYL)-5-METHYL-1H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID	CC1=NC(=NN1C1=CC(Cl)=CC(Cl)=C1)C(O)=O

20 predicted interactions (drugs) of input target (CDK2): Cyclin-dependent kinase 2

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Confidence score
1	Experimental	SmallMoleculeDrug	DB02482	Phosphonothreonine	C[C@H](OP(O)(O)=O)[C@@H](N)C(O)=O	57.3%
2	Experimental	SmallMoleculeDrug	DB04014	Alsterpaullone	[O-][N+](=O)C1=CC2=C(NC3=C2CC(=O)NC2=C3C=CC=C2)C=C1	46.7%
3	Experimental	SmallMoleculeDrug	DB04395	Phosphoaminophosphonic Acid-Adenylate Ester	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)NP(O)(O)=O)[C@H](O)[C@H]1O	44.2%
4	Approved	SmallMoleculeDrug	DB06589	Pazopanib	CN(C1=CC2=NN(C)C(C)=C2C=C1)C1=CC=NC(NC2=CC=C(C)C(=C2)S(N)(=O)=O)=N1	40.6%
5	Experimental	SmallMoleculeDrug	DB07276	5-CYANO-N-(2,5-DIMETHOXYBENZYL)-6-ETHOXYPYRIDINE-2-CARBOXAMIDE	CCOC1=NC(=CC=C1C#N)C(=O)NCC1=CC(OC)=CC=C1OC	40.0%
6	Experimental	SmallMoleculeDrug	DB08690	UBIQUINONE-2	COC1=C(OC)C(=O)C(C\C=C(/C)CCC=C(C)C)=C(C)C1=O	39.1%
7	Experimental	SmallMoleculeDrug	DB08330	METHYL (2Z)-3-METHOXY-2-{2-[(E)-2-PHENYLVINYL]PHENYL}ACRYLATE	CO\C=C(\C(=O)OC)C1=C(\C=C\C2=CC=CC=C2)C=CC=C1	38.9%
8	Experimental	SmallMoleculeDrug	DB07845	2-fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide	COC1=C(NC2=NC3=C(C=CN3)C(NC3=CC=CC(F)=C3C(N)=O)=N2)C=CC(CS(C)(=O)=O)=C1	37.8%
9	Experimental	SmallMoleculeDrug	DB08325	2-(2-HYDROXYETHYLAMINO)-6-(3-CHLOROANILINO)-9-ISOPROPYLPURINE	CC(C)N1C=NC2=C1NC(NCCO)=N\C2=N/C1=CC=CC(Cl)=C1	37.6%
10	Approved; Experimental	SmallMoleculeDrug	DB03017	Lauric Acid	CCCCCCCCCCCC(O)=O	36.9%
11	Approved	SmallMoleculeDrug	DB00491	Miglitol	OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO	36.9%
12	Approved; Nutraceutical	SmallMoleculeDrug	DB00126	Vitamin C	[H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO	35.8%
13	Experimental	SmallMoleculeDrug	DB04799	5-n-undecyl-6-hydroxy-4,7-dioxobenzothiazole	CCCCCCCCCCCC1=C(O)C(=O)C2=C(N=CS2)C1=O	35.3%
14	Experimental	SmallMoleculeDrug	DB07218	6-CHLORO-9-HYDROXY-1,3-DIMETHYL-1,9-DIHYDRO-4H-PYRAZOLO[3,4-B]QUINOLIN-4-ONE	CN1N=C(C)C2=C1N(O)C1=C(C=C(Cl)C=C1)C2=O	34.4%
15	Approved; Nutraceutical	SmallMoleculeDrug	DB00136	Calcitriol	C[C@H](CCCC(C)(C)O)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C	33.9%
16	Approved; Investigational	BiotechDrug	DB00086	Streptokinase	NA	32.9%
17	Experimental; Investigational	SmallMoleculeDrug	DB02691	Glycocholic acid	[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)NCC([O-])=O	32.2%
18	Experimental	SmallMoleculeDrug	DB03760	Dihydrolipoic Acid	[H][C@](S)(CCS)CCCCC(O)=O	31.9%
19	Experimental	SmallMoleculeDrug	DB07272	N-(4-AMINO-5-CYANO-6-ETHOXYPYRIDIN-2-YL)-2-(4-BROMO-2,5-DIMETHOXYPHENYL)ACETAMIDE	CCOC1=NC(NC(=O)CC2=CC(OC)=C(Br)C=C2OC)=CC(N)=C1C#N	31.7%
20	Experimental	SmallMoleculeDrug	DB06877	N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE	CN(C)C(=O)C1=CC(=CN1)C1=NNC=C1C1=CC=CC=C1	31.5%