QuartataWeb 1.0

Data source: DrugBank-all; Query type: target; # of requested predictions: 20; Secondary interactions: no
Input target 1: P10721

No. Gene UniProt ID Protein Name Pathway PDB

1 KIT P10721 Mast/stem cell growth factor receptor Kit hsa04010; hsa04014; hsa04015; hsa04072; hsa04151; hsa04640; hsa04916; hsa05200; hsa05221; hsa05224; hsa05230 1PKG; 1QZJ; 1QZK; 1R01; 1T45; 1T46; 2E9W; 2EC8; 2VIF; 3G0E; 3G0F; 4HVS; 4K94; 4K9E; 4PGZ; 4U0I

17 known interactions (drugs) of input target (KIT): Mast/stem cell growth factor receptor Kit

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter
1	Experimental	SmallMoleculeDrug	DB01962	Phosphonotyrosine	N[C@@H](CC1=CC=C(OP(O)(O)=O)C=C1)C(O)=O
2	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
3	Investigational	SmallMoleculeDrug	DB06080	ABT-869	NA
4	Approved; Investigational	SmallMoleculeDrug	DB01268	Sunitinib	CCN(CC)CCNC(=O)C1=C(C)NC(\C=C2/C(=O)NC3=C2C=C(F)C=C3)=C1C
5	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
6	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
7	Investigational	SmallMoleculeDrug	DB12742	Amuvatinib	S=C(NCC1=CC=C2OCOC2=C1)N1CCN(CC1)C1=NC=NC2=C1OC1=C2C=CC=C1
8	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
9	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
10	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
11	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
12	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
13	Approved; Investigational; Withdrawn	BiotechDrug	DB09103	Ancestim	NA
14	Approved; Investigational	SmallMoleculeDrug	DB09078	Lenvatinib	COC1=C(C=C2C(OC3=CC(Cl)=C(NC(O)=NC4CC4)C=C3)=CC=NC2=C1)C(O)=N
15	Investigational	SmallMoleculeDrug	DB05146	XL820	NA
16	Approved; Investigational	SmallMoleculeDrug	DB01254	Dasatinib	CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1
17	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

20 predicted interactions (drugs) of input target (KIT): Mast/stem cell growth factor receptor Kit

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Confidence score
1	Investigational	SmallMoleculeDrug	DB05014	XL999	NA	66.9%
2	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	66.0%
3	Investigational	BiotechDrug	DB06101	IMC-1C11	NA	47.1%
4	Approved; Investigational	BiotechDrug	DB00102	Becaplermin	NA	46.3%
5	Approved	SmallMoleculeDrug	DB06616	Bosutinib	COC1=CC(NC2=C(C=NC3=CC(OCCCN4CCN(C)CC4)=C(OC)C=C23)C#N)=C(Cl)C=C1Cl	43.9%
6	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	43.1%
7	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	42.3%
8	Investigational	SmallMoleculeDrug	DB04879	Vatalanib	ClC1=CC=C(NC2=NN=C(CC3=CC=NC=C3)C3=CC=CC=C23)C=C1	41.0%
9	Approved	BiotechDrug	DB10772	Foreskin keratinocyte (neonatal)	NA	37.9%
10	Approved	BiotechDrug	DB00039	Palifermin	NA	37.4%
11	Approved; Investigational	SmallMoleculeDrug	DB06626	Axitinib	[H]\C(=C(\[H])C1=CC=CC=N1)C1=C2C=CC(SC3=CC=CC=C3C(O)=NC)=CC2=NN1	36.8%
12	Approved	BiotechDrug	DB10770	Foreskin fibroblast (neonatal)	NA	35.9%
13	Experimental	SmallMoleculeDrug	DB01809	1-Ter-Butyl-3-P-Tolyl-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine	CC1=CC=C(C=C1)C1=NN(C2=C1C(N)=NC=N2)C(C)(C)C	33.8%
14	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	33.3%
15	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	32.8%
16	Experimental	SmallMoleculeDrug	DB02058	SU4984	OC1=NC2=CC=CC=C2C1CC1=CC=C(C=C1)N1CCN(CC1)C=O	32.3%
17	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	32.2%
18	Approved; Investigational	BiotechDrug	DB06043	Olaratumab	NA	30.0%
19	Investigational	SmallMoleculeDrug	DB05465	Tandutinib	COC1=C(OCCCN2CCCCC2)C=C2N=CN=C(N3CCN(CC3)C(=O)NC3=CC=C(OC(C)C)C=C3)C2=C1	29.3%
20	Investigational	SmallMoleculeDrug	DB05184	XL228	NA	29.3%