QuartataWeb 1.0

36 known interactions (drugs) of input target (KDR): Vascular endothelial growth factor receptor 2

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter
1	Experimental	SmallMoleculeDrug	DB07514	3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethylindolin-6-yl)-4-methylpyridin-2(1H)-one	CC1=C(C(=O)N(C=C1)C1=CC=C2C(NCC2(C)C)=C1)C1=CC2=CN=C(N)N=C2C=C1
2	Investigational	SmallMoleculeDrug	DB05931	Pegdinetanib	NA
3	Approved	SmallMoleculeDrug	DB08896	Regorafenib	CNC(=O)C1=CC(OC2=CC(F)=C(NC(=O)NC3=CC=C(Cl)C(=C3)C(F)(F)F)C=C2)=CC=N1
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
5	Experimental	SmallMoleculeDrug	DB07537	N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)-4-methyl-benzene-1,3-dicarboxamide	CC1=CC=C(C=C1C(=O)NC1=CN=C(N)C=C1)C(=O)NCCC1CCCC1
6	Experimental	SmallMoleculeDrug	DB08042	N~4~-methyl-N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine	COC1=CC(NC2=NC(=CC=N2)N(C)C2=CC3=C(C=C2)C(C)=NN3)=CC(OC)=C1OC
7	Experimental	SmallMoleculeDrug	DB07528	3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2(1H)-one	CC1=C(C2=CC3=C(C=C2)N=C(N)N=C3)C(=O)N(C=C1)C1=CC(=CC=C1)C(F)(F)F
8	Experimental	SmallMoleculeDrug	DB07333	N-(CYCLOPROPYLMETHYL)-4-(METHYLOXY)-3-({5-[3-(3-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-YL}AMINO)BENZENESULFONAMIDE	COC1=CC=C(C=C1NC1=NC=C(O1)C1=CC(=CC=C1)C1=CN=CC=C1)S(=O)(=O)NCC1CC1
9	Investigational	SmallMoleculeDrug	DB05075	TG-100801	CC1=C2N=C(NC3=CC=C(OCCN4CCCC4)C=C3)N=NC2=CC(=C1)C1=CC(OC(=O)C2=CC=CC=C2)=CC=C1Cl
10	Experimental	SmallMoleculeDrug	DB06938	4-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-3H-benzimidazol-5-yl]oxy]-N-methyl-pyridine-2-carboxamide	CNC(=O)C1=NC=CC(OC2=CC3=C(C=C2)N=C(NC2=CC(=C(Cl)C=C2)C(F)(F)F)N3)=C1
11	Experimental	SmallMoleculeDrug	DB07326	6-chloro-N-pyrimidin-5-yl-3-{[3-(trifluoromethyl)phenyl]amino}-1,2-benzisoxazole-7-carboxamide	FC(F)(F)C1=CC(NC2=NOC3=C(C(=O)NC4=CN=CN=C4)C(Cl)=CC=C23)=CC=C1
12	Investigational	SmallMoleculeDrug	DB05984	RAF-265	CN1C(NC2=CC=C(C=C2)C(F)(F)F)=NC2=CC(OC3=CC=NC(=C3)C3=NC=C(N3)C(F)(F)F)=CC=C12
13	Investigational	BiotechDrug	DB06101	IMC-1C11	NA
14	Investigational	SmallMoleculeDrug	DB04849	Cediranib	COC1=CC2=C(C=C1OCCCN1CCCC1)N=CN=C2OC1=C(F)C2=C(NC(C)=C2)C=C1
15	Investigational	SmallMoleculeDrug	DB06080	ABT-869	NA
16	Investigational	SmallMoleculeDrug	DB04879	Vatalanib	ClC1=CC=C(NC2=NN=C(CC3=CC=NC=C3)C3=CC=CC=C23)C=C1
17	Experimental	SmallMoleculeDrug	DB04727	N-(4-{4-AMINO-6-[4-(METHYLOXY)PHENYL]FURO[2,3-D]PYRIMIDIN-5-YL}PHENYL)-N'-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]UREA	COC1=CC=C(C=C1)C1=C(C2=C(N)N=CN=C2O1)C1=CC=C(NC(O)=NC2=C(F)C=CC(=C2)C(F)(F)F)C=C1
18	Experimental	SmallMoleculeDrug	DB07274	N-cyclopropyl-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide	COC1=C(OC)C=C2C(OC3=CC4=CC=CC(C(=O)NC5CC5)=C4C=C3)=CC=NC2=C1
19	Approved; Investigational	SmallMoleculeDrug	DB06595	Midostaurin	CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)N1C3=C(C=CC=C3)C3=C1C1=C(C4=C(C=CC=C4)N21)C1=C3CNC1=O)N(C)C(=O)C1=CC=CC=C1
20	Approved; Investigational	SmallMoleculeDrug	DB08901	Ponatinib	CN1CCN(CC2=CC=C(NC(=O)C3=CC(C#CC4=CN=C5C=CC=NN45)=C(C)C=C3)C=C2C(F)(F)F)CC1
21	Investigational	SmallMoleculeDrug	DB05198	CYC116	NA
22	Approved; Investigational	SmallMoleculeDrug	DB12010	Fostamatinib	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC
23	Approved	SmallMoleculeDrug	DB09079	Nintedanib	COC(=O)C1=CC2=C(C=C1)\C(=C(\NC1=CC=C(C=C1)N(C)C(=O)CN1CCN(C)CC1)C1=CC=CC=C1)C(O)=N2
24	Investigational	SmallMoleculeDrug	DB12307	Foretinib	COC1=C(OCCCN2CCOCC2)C=C2N=CC=C(OC3=C(F)C=C(C=C3)N=C(O)C3(CC3)C(=O)NC3=CC=C(F)C=C3)C2=C1
25	Investigational	SmallMoleculeDrug	DB05146	XL820	NA
26	Investigational	SmallMoleculeDrug	DB05014	XL999	NA
27	Experimental	SmallMoleculeDrug	DB08519	N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine	COC1=CC(NC2=NC=CC(NC3=CC=C4C(C)=NNC4=C3)=N2)=CC(OC)=C1OC
28	Experimental	SmallMoleculeDrug	DB07183	N-(4-phenoxyphenyl)-2-[(pyridin-4-ylmethyl)amino]nicotinamide	O=C(NC1=CC=C(OC2=CC=CC=C2)C=C1)C1=C(NCC2=CC=NC=C2)N=CC=C1
29	Approved; Investigational	SmallMoleculeDrug	DB01268	Sunitinib	CCN(CC)CCNC(=O)C1=C(C)NC(\C=C2/C(=O)NC3=C2C=C(F)C=C3)=C1C
30	Experimental	SmallMoleculeDrug	DB07334	N-[5-(ETHYLSULFONYL)-2-METHOXYPHENYL]-5-[3-(2-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-AMINE	CCS(=O)(=O)C1=CC=C(OC)C(NC2=NC=C(O2)C2=CC=CC(=C2)C2=CC=CC=N2)=C1
31	Approved; Investigational	SmallMoleculeDrug	DB00398	Sorafenib	CNC(=O)C1=NC=CC(OC2=CC=C(NC(=O)NC3=CC(=C(Cl)C=C3)C(F)(F)F)C=C2)=C1
32	Approved; Investigational	SmallMoleculeDrug	DB06626	Axitinib	[H]\C(=C(\[H])C1=CC=CC=N1)C1=C2C=CC(SC3=CC=CC=C3C(O)=NC)=CC2=NN1
33	Approved; Investigational	BiotechDrug	DB05578	Ramucirumab	NA
34	Approved; Investigational	SmallMoleculeDrug	DB09078	Lenvatinib	COC1=C(C=C2C(OC3=CC(Cl)=C(NC(O)=NC4CC4)C=C3)=CC=NC2=C1)C(O)=N
35	Approved; Investigational	SmallMoleculeDrug	DB08875	Cabozantinib	COC1=CC2=C(C=C1OC)C(OC1=CC=C(NC(=O)C3(CC3)C(=O)NC3=CC=C(F)C=C3)C=C1)=CC=N2
36	Investigational	SmallMoleculeDrug	DB06436	Semaxanib	CC1=CC(C)=C(N1)\C=C1/C(=O)NC2=CC=CC=C12

20 predicted interactions (drugs) of input target (KDR): Vascular endothelial growth factor receptor 2

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Confidence score
1	Investigational	SmallMoleculeDrug	DB05913	OSI-930	FC(F)(F)OC1=CC=C(NC(=O)C2=C(NCC3=CC=NC4=CC=CC=C34)C=CS2)C=C1	50.7%
2	Investigational	SmallMoleculeDrug	DB05932	Denibulin	[H][C@@](C)(N)C(=O)NC1=CC=C(SC2=CC3=C(C=C2)N=C(N3)N=C(O)OC)C=C1	50.3%
3	Investigational	SmallMoleculeDrug	DB12742	Amuvatinib	S=C(NCC1=CC=C2OCOC2=C1)N1CCN(CC1)C1=NC=NC2=C1OC1=C2C=CC=C1	50.2%
4	Approved; Investigational	SmallMoleculeDrug	DB01254	Dasatinib	CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1	49.7%
5	Approved	SmallMoleculeDrug	DB00619	Imatinib	CN1CCN(CC2=CC=C(C=C2)C(=O)NC2=CC(NC3=NC=CC(=N3)C3=CN=CC=C3)=C(C)C=C2)CC1	45.0%
6	Approved; Investigational	BiotechDrug	DB00102	Becaplermin	NA	42.6%
7	Experimental	SmallMoleculeDrug	DB07288	N-(4-chlorophenyl)-2-[(pyridin-4-ylmethyl)amino]benzamide	ClC1=CC=C(NC(=O)C2=C(NCC3=CC=NC=C3)C=CC=C2)C=C1	40.4%
8	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	39.7%
9	Approved	BiotechDrug	DB10770	Foreskin fibroblast (neonatal)	NA	39.4%
10	Approved	SmallMoleculeDrug	DB05294	Vandetanib	COC1=C(OCC2CCN(C)CC2)C=C2N=CN=C(NC3=C(F)C=C(Br)C=C3)C2=C1	37.9%
11	Approved; Investigational	SmallMoleculeDrug	DB08912	Dabrafenib	CC(C)(C)C1=NC(=C(S1)C1=NC(N)=NC=C1)C1=C(F)C(NS(=O)(=O)C2=C(F)C=CC=C2F)=CC=C1	36.6%
12	Approved; Investigational	SmallMoleculeDrug	DB04868	Nilotinib	CC1=CN(C=N1)C1=CC(=CC(NC(=O)C2=CC(NC3=NC=CC(=N3)C3=CN=CC=C3)=C(C)C=C2)=C1)C(F)(F)F	35.9%
13	Experimental	SmallMoleculeDrug	DB01962	Phosphonotyrosine	N[C@@H](CC1=CC=C(OP(O)(O)=O)C=C1)C(O)=O	31.1%
14	Investigational	SmallMoleculeDrug	DB06089	ICA-105665	NA	30.1%
15	Approved	BiotechDrug	DB10772	Foreskin keratinocyte (neonatal)	NA	28.7%
16	Investigational	SmallMoleculeDrug	DB05434	ABT-510	CCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)CN(C)C(C)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC	27.9%
17	Approved; Investigational	SmallMoleculeDrug	DB12267	Brigatinib	COC1=CC(=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1)N1CCC(CC1)N1CCN(C)CC1	27.6%
18	Investigational	SmallMoleculeDrug	DB12874	Quizartinib	CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C=C2)C2=CN3C(SC4=C3C=CC(OCCN3CCOCC3)=C4)=N2)=NO1	27.2%
19	Approved; Investigational; Nutraceutical	SmallMoleculeDrug	DB00121	Biotin	[H][C@]12CS[C@@H](CCCCC(O)=O)[C@@]1([H])NC(=O)N2	26.9%
20	Experimental	SmallMoleculeDrug	DB07242	(4R)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile	[H][C@@]1(C#N)C2=C(N(C)C3=C(Cl)C(Cl)=CC=C23)C(=O)NC11CCN(C)CC1	26.8%