QuartataWeb 1.0

23 known interactions (drugs) of input target (PIM1): Serine/threonine-protein kinase pim-1

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter
1	Experimental	SmallMoleculeDrug	DB03777	Rbt205 Inhibitor	CN(C)CCCN1C=C(C2=C1C=CC=C2)C1=C(C(=O)NC1=O)C1=CNC2=C1C=CC=C2
2	Experimental; Investigational	SmallMoleculeDrug	DB03366	Imidazole	N1C=CN=C1
3	Experimental	SmallMoleculeDrug	DB04522	Dexfosfoserine	N[C@@H](COP(O)(O)=O)C(O)=O
4	Experimental; Investigational	SmallMoleculeDrug	DB04216	Quercetin	OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC=C(O)C(O)=C1
5	Experimental	SmallMoleculeDrug	DB08708	N-cyclohexyl-3-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine	FC(F)(F)C1=CC=CC(=C1)C1=NN=C2C=CC(NC3CCCCC3)=NN12
6	Experimental	SmallMoleculeDrug	DB07524	N-phenyl-1H-pyrrolo[2,3-b]pyridin-3-amine	N(C1=CNC2=NC=CC=C12)C1=CC=CC=C1
7	Experimental	SmallMoleculeDrug	DB04715	IMIDAZOPYRIDAZIN 1	CC(=O)C1=CC=CC(=C1)C1=CN=C2C=CC(NCC3CC3)=NN12
8	Experimental	SmallMoleculeDrug	DB08230	5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE	OC1=CC2=C(C(O)=C1)C(=O)C=C(O2)C1=CC(O)=C(O)C(O)=C1
9	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
10	Experimental	SmallMoleculeDrug	DB07151	4-(4-hydroxy-3-methylphenyl)-6-phenylpyrimidin-2(5H)-one	CC1=CC(=CC=C1O)C1=NC(=O)N=C(C1)C1=CC=CC=C1
11	Experimental	SmallMoleculeDrug	DB08707	4-[3-(4-chlorophenyl)-2,1-benzisoxazol-5-yl]pyrimidin-2-amine	NC1=NC=CC(=N1)C1=CC2=C(ON=C2C=C1)C1=CC=C(Cl)C=C1
12	Experimental	SmallMoleculeDrug	DB01754	3,4-Dihydroxy-1-Methylquinolin-2(1h)-One	CN1C(=O)C(O)=C(O)C2=CC=CC=C12
13	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
14	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
15	Experimental	SmallMoleculeDrug	DB02656	LY-294002	O=C1C=C(OC2=C1C=CC=C2C1=CC=CC=C1)N1CCOCC1
16	Approved; Investigational; Nutraceutical	SmallMoleculeDrug	DB00131	Adenosine monophosphate	NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1
17	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
18	Experimental	SmallMoleculeDrug	DB08166	(4R)-7-chloro-9-methyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile	[H][C@@]1(C#N)C2=C(N(C)C3=CC(Cl)=CC=C23)C(=O)NC11CCNCC1
19	Experimental	SmallMoleculeDrug	DB04530	S,S-(2-Hydroxyethyl)Thiocysteine	N[C@@H](CSSCCO)C(O)=O
20	Experimental	SmallMoleculeDrug	DB08022	(2S)-1,3-benzothiazol-2-yl{2-[(2-pyridin-3-ylethyl)amino]pyrimidin-4-yl}ethanenitrile	[H][C@](C#N)(C1=NC2=C(S1)C=CC=C2)C1=NC(NCCC2=CC=CN=C2)=NC=C1
21	Experimental	SmallMoleculeDrug	DB08709	2,3-diphenyl-1H-indole-7-carboxylic acid	OC(=O)C1=CC=CC2=C1NC(=C2C1=CC=CC=C1)C1=CC=CC=C1
22	Experimental	SmallMoleculeDrug	DB08705	6-(5-BROMO-2-HYDROXYPHENYL)-2-OXO-4-PHENYL-1,2-DIHYDROPYRIDINE-3-CARBONITRILE	OC1=C(C=C(Br)C=C1)C1=CC(C2=CC=CC=C2)=C(C#N)C(=O)N1
23	Experimental	SmallMoleculeDrug	DB03650	(3e)-3-[(4-Hydroxyphenyl)Imino]-1h-Indol-2(3h)-One	OC1=CC=C(C=C1)\N=C1/C(=O)NC2=CC=CC=C12

20 predicted interactions (drugs) of input target (PIM1): Serine/threonine-protein kinase pim-1

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Confidence score
1	Investigational	SmallMoleculeDrug	DB08846	Ellagic Acid	OC1=C(O)C2=C3C(=C1)C(=O)OC1=C3C(=CC(O)=C1O)C(=O)O2	35.2%
2	Approved	SmallMoleculeDrug	DB00277	Theophylline	CN1C2=C(NC=N2)C(=O)N(C)C1=O	34.6%
3	Approved; Vet approved	SmallMoleculeDrug	DB00945	Acetylsalicylic acid	CC(=O)OC1=CC=CC=C1C(O)=O	34.3%
4	Approved	SmallMoleculeDrug	DB00675	Tamoxifen	CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1	34.2%
5	Experimental	SmallMoleculeDrug	DB04769	5-QUINOXALIN-6-YLMETHYLENE-THIAZOLIDINE-2,4-DIONE	O=C1NC(=O)\C(S1)=C\C1=CC2=C(C=C1)N=CC=N2	31.6%
6	Approved	SmallMoleculeDrug	DB06637	Dalfampridine	NC1=CC=NC=C1	30.6%
7	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	29.9%
8	Experimental	SmallMoleculeDrug	DB03597	Gamma-Glutamyl[S-(2-Iodobenzyl)Cysteinyl]Glycine	[H][C@](N)(CCC(O)=N[C@@]([H])(CSCC1=CC=CC=C1I)C(O)=NCC(O)=O)C(O)=O	25.8%
9	Approved; Withdrawn	SmallMoleculeDrug	DB00637	Astemizole	COC1=CC=C(CCN2CCC(CC2)NC2=NC3=CC=CC=C3N2CC2=CC=C(F)C=C2)C=C1	25.4%
10	Approved; Nutraceutical	SmallMoleculeDrug	DB00126	Vitamin C	[H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO	25.2%
11	Experimental	SmallMoleculeDrug	DB03467	Naringenin	[H][C@]1(CC(=O)C2=C(O1)C=C(O)C=C2O)C1=CC=C(O)C=C1	24.6%
12	Approved	SmallMoleculeDrug	DB00606	Cyclothiazide	NS(=O)(=O)C1=C(Cl)C=C2NC(NS(=O)(=O)C2=C1)C1CC2CC1C=C2	24.1%
13	Experimental	SmallMoleculeDrug	DB08059	Wortmannin	[H][C@@]12CCC(=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)C2=C3C(=CO2)C(=O)O[C@H](COC)[C@]13C	23.9%
14	Approved; Investigational	SmallMoleculeDrug	DB01069	Promethazine	CC(CN1C2=CC=CC=C2SC2=CC=CC=C12)N(C)C	23.7%
15	Experimental	SmallMoleculeDrug	DB07132	1-{2-OXO-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-5-YL}UREA	[H][C@](C)(C1=CC=CN1)C1=C2C=C(NC(N)=O)C=CC2=NC1=O	23.6%
16	Experimental	SmallMoleculeDrug	DB07444	6-(3-AMINOPROPYL)-4,9-DIMETHYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE	CC1=CC2=C(C=C1)N(CCCN)C1=C2C2=C(C(=O)NC2=O)C(C)=C1	23.6%
17	Investigational	SmallMoleculeDrug	DB05241	XL765	NA	23.6%
18	Approved	SmallMoleculeDrug	DB00331	Metformin	CN(C)C(=N)NC(N)=N	23.4%
19	Approved	BiotechDrug	DB13932	Voretigene Neparvovec	NA	23.4%
20	Experimental	SmallMoleculeDrug	DB04716	2-(1,1-DIMETHYLETHYL)9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLIN-7-ONE	CC(C)(C)C1=NC2=C3C=CC(F)=CC3=C3C(=O)NC=CC3=C2N1	23.2%