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Network of interactions between drugs (red spheres) and targets (blue spheres) is displayed above.
The red lines are used for the predicted interactions and the thickness of edges indicate the confidence score of predictions.

Data source: DrugBank-all; Query type: target; # of requested predictions: 20; Secondary interactions: no
Input target 1: O14757
No. Gene UniProt ID Protein Name Pathway PDB
1 CHEK1 O14757 Serine/threonine-protein kinase Chk1 hsa04110; hsa04115; hsa04218; hsa05166; hsa05170; hsa05203


35 known interactions (drugs) of input target (CHEK1): Serine/threonine-protein kinase Chk1
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB07959 3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZOLE Thumb
2 Experimental SmallMoleculeDrug DB08774 1-[(2S)-4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine Thumb
3 Experimental SmallMoleculeDrug DB06876 N-{5-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]-1H-PYRROLO[2,3-B]PYRIDIN-3-YL}NICOTINAMIDE Thumb
4 Experimental SmallMoleculeDrug DB07314 1-(5-CHLORO-2,4-DIMETHOXYPHENYL)-3-(5-CYANOPYRAZIN-2-YL)UREA Thumb
5 Experimental SmallMoleculeDrug DB08779 2-(methylsulfanyl)-5-(thiophen-2-ylmethyl)-1H-imidazol-4-ol Thumb
6 Experimental SmallMoleculeDrug DB07654 (5,6-DIPHENYL-FURO[2,3-D]PYRIMIDIN-4-YLAMINO)-ACETIC Thumb
7 Experimental SmallMoleculeDrug DB07320 4-(6-{[(4-METHYLCYCLOHEXYL)AMINO]METHYL}-1,4-DIHYDROINDENO[1,2-C]PYRAZOL-3-YL)BENZOIC ACID Thumb
8 Experimental SmallMoleculeDrug DB07228 1-(5-CHLORO-2-METHOXYPHENYL)-3-{6-[2-(DIMETHYLAMINO)-1-METHYLETHOXY]PYRAZIN-2-YL}UREA Thumb
9 Experimental SmallMoleculeDrug DB06852 4-[(3S)-1-AZABICYCLO[2.2.2]OCT-3-YLAMINO]-3-(1H-BENZIMIDAZOL-2-YL)-6-CHLOROQUINOLIN-2(1H)-ONE Thumb
10 Experimental SmallMoleculeDrug DB07025 3-(5-{[4-(AMINOMETHYL)PIPERIDIN-1-YL]METHYL}-1H-INDOL-2-YL)QUINOLIN-2(1H)-ONE Thumb
11 Experimental SmallMoleculeDrug DB07336 4-[3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZOL-6-YL]-2-METHOXYPHENOL Thumb
12 Experimental SmallMoleculeDrug DB08778 [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl](phenyl)methanone Thumb
13 Experimental SmallMoleculeDrug DB07075 3-(5-{[4-(AMINOMETHYL)PIPERIDIN-1-YL]METHYL}-1H-INDOL-2-YL)-1H-INDAZOLE-6-CARBONITRILE Thumb
14 Experimental SmallMoleculeDrug DB07653 N-(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)GLYCINE Thumb
15 Experimental SmallMoleculeDrug DB07648 (2R)-3-{[(4Z)-5,6-DIPHENYL-6,7-DIHYDRO-4H-PYRROLO[2,3-D]PYRIMIDIN-4-YLIDENE]AMINO}PROPANE-1,2-DIOL Thumb
16 Experimental SmallMoleculeDrug DB07243 (3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLATE Thumb
17 Investigational SmallMoleculeDrug DB06486 Enzastaurin Thumb
18 Experimental SmallMoleculeDrug DB08781 1-[(2S)-4-(5-BROMO-1H-PYRAZOLO[3,4-B]PYRIDIN-4-YL)MORPHOLIN-2-YL]METHANAMINE Thumb
19 Experimental SmallMoleculeDrug DB07078 (3Z)-6-(4-HYDROXY-3-METHOXYPHENYL)-3-(1H-PYRROL-2-YLMETHYLENE)-1,3-DIHYDRO-2H-INDOL-2-ONE Thumb
20 Experimental SmallMoleculeDrug DB07034 2,2'-{[9-(HYDROXYIMINO)-9H-FLUORENE-2,7-DIYL]BIS(OXY)}DIACETIC ACID Thumb
21 Investigational SmallMoleculeDrug DB05149 XL844 Thumb
22 Approved;
Investigational		 SmallMoleculeDrug DB12010 Fostamatinib Thumb
23 Experimental SmallMoleculeDrug DB08683 REL-(9R,12S)-9,10,11,12-TETRAHYDRO-9,12-EPOXY-1H-DIINDOLO[1,2,3-FG:3',2',1'-KL]PYRROLO[3,4-I][1,6]BENZODIAZOCINE-1,3(2H)-DIONE Thumb
24 Experimental SmallMoleculeDrug DB08776 N-(4-OXO-5,6,7,8-TETRAHYDRO-4H-[1,3]THIAZOLO[5,4-C]AZEPIN-2-YL)ACETAMIDE Thumb
25 Experimental SmallMoleculeDrug DB07647 (2R)-1-[(5,6-DIPHENYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)AMINO]PROPAN-2-OL Thumb
26 Experimental SmallMoleculeDrug DB07038 2-(cyclohexylamino)benzoic acid Thumb
27 Experimental SmallMoleculeDrug DB08777 5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE Thumb
28 Experimental SmallMoleculeDrug DB07655 3-AMINO-3-BENZYL-[4.3.0]BICYCLO-1,6-DIAZANONAN-2-ONE Thumb
29 Experimental SmallMoleculeDrug DB08393 2-[(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)AMINO]ETHANOL Thumb
30 Experimental SmallMoleculeDrug DB07158 5-ETHYL-3-METHYL-1,5-DIHYDRO-4H-PYRAZOLO[4,3-C]QUINOLIN-4-ONE Thumb
31 Experimental SmallMoleculeDrug DB08780 6-MORPHOLIN-4-YL-9H-PURINE Thumb
32 Experimental SmallMoleculeDrug DB07311 18-CHLORO-11,12,13,14-TETRAHYDRO-1H,10H-8,4-(AZENO)-9,15,1,3,6-BENZODIOXATRIAZACYCLOHEPTADECIN-2-ONE Thumb
33 Experimental SmallMoleculeDrug DB08392 2-[5,6-BIS-(4-METHOXY-PHENYL)-FURO[2,3-D]PYRIMIDIN-4-YLAMINO]-ETHANOL Thumb
34 Experimental SmallMoleculeDrug DB07037 (2S)-1-AMINO-3-[(5-NITROQUINOLIN-8-YL)AMINO]PROPAN-2-OL Thumb
35 Experimental SmallMoleculeDrug DB07213 (5-{3-[5-(PIPERIDIN-1-YLMETHYL)-1H-INDOL-2-YL]-1H-INDAZOL-6-YL}-2H-1,2,3-TRIAZOL-4-YL)METHANOL Thumb


20 predicted interactions (drugs) of input target (CHEK1): Serine/threonine-protein kinase Chk1
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Approved;
Nutraceutical		 SmallMoleculeDrug DB00157 NADH Thumb 51.9%
2 Approved;
Investigational		 SmallMoleculeDrug DB02325 Isopropyl Alcohol Thumb 36.8%
3 Experimental SmallMoleculeDrug DB02010 Staurosporine Thumb 35.1%
4 Experimental SmallMoleculeDrug DB08348 N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE Thumb 33.3%
5 Approved;
Vet approved		 SmallMoleculeDrug DB00945 Acetylsalicylic acid Thumb 31.8%
6 Experimental SmallMoleculeDrug DB07664 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE Thumb 31.4%
7 Experimental;
Investigational		 SmallMoleculeDrug DB08838 Agmatine Thumb 31.3%
8 Experimental SmallMoleculeDrug DB02676 2-[3-(2-Hydroxy-1,1-Dihydroxymethyl-Ethylamino)-Propylamino]-2-Hydroxymethyl-Propane-1,3-Diol Thumb 28.2%
9 Approved SmallMoleculeDrug DB01016 Glyburide Thumb 27.9%
10 Experimental SmallMoleculeDrug DB08402 2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID Thumb 27.9%
11 Approved;
Investigational		 SmallMoleculeDrug DB00747 Scopolamine Thumb 27.9%
12 Approved;
Investigational		 SmallMoleculeDrug DB08901 Ponatinib Thumb 27.6%
13 Approved;
Nutraceutical		 SmallMoleculeDrug DB00168 Aspartame Thumb 27.4%
14 Experimental SmallMoleculeDrug DB04395 Phosphoaminophosphonic Acid-Adenylate Ester Thumb 26.6%
15 Experimental SmallMoleculeDrug DB08085 1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE Thumb 26.3%
16 Approved SmallMoleculeDrug DB09079 Nintedanib Thumb 25.7%
17 Experimental SmallMoleculeDrug DB01631 Methyl Nonanoate (Ester) Thumb 24.8%
18 Approved SmallMoleculeDrug DB01245 Decamethonium Thumb 24.5%
19 Experimental SmallMoleculeDrug DB03559 Cyclohexylformamide Thumb 24.5%
20 Investigational SmallMoleculeDrug DB05194 KB002 Thumb 24.4%


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Reference:  Hongchun Li, Fen Pei, D. Lansing Taylor and Ivet Bahar. (2020) QuartataWeb: Integrated Chemical–Protein-Pathway Mapping for Polypharmacology and Chemogenomics. Bioinformatics 36(12), 3935–3937.

Contact:

The QuartataWeb server is maintained by the Bahar Lab at the Department of Computational & Systems Biology at the University of Pittsburgh, School of Medicine, and sponsored by the NIH awards P41 GM103712 and P01 DK096990; and by the Li Lab at Research Center for Computer-Aided Drug Discovery at Shenzhen Institutes of Advanced Technology, CAS.

For questions and comments please contact Hongchun Li.