QuartataWeb 1.0

8 known interactions (drugs) of input target (RAF1): RAF proto-oncogene serine/threonine-protein kinase

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter
1	Approved; Investigational	SmallMoleculeDrug	DB08862	Cholecystokinin	NA
2	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
3	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
4	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
5	Investigational	SmallMoleculeDrug	DB05190	XL281	NA
6	Investigational	SmallMoleculeDrug	DB05268	iCo-007	NA
7	Investigational	BiotechDrug	DB04973	LErafAON	NA
8	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

20 predicted interactions (drugs) of input target (RAF1): RAF proto-oncogene serine/threonine-protein kinase

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Confidence score
1	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	40.5%
2	Approved; Investigational	SmallMoleculeDrug	DB01254	Dasatinib	CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1	38.6%
3	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	37.9%
4	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	36.3%
5	Approved; Investigational	SmallMoleculeDrug	DB01268	Sunitinib	CCN(CC)CCNC(=O)C1=C(C)NC(\C=C2/C(=O)NC3=C2C=C(F)C=C3)=C1C	35.3%
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	33.5%
7	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	31.8%
8	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	31.5%
9	Investigational; Nutraceutical	SmallMoleculeDrug	DB00171	ATP	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O	31.3%
10	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	30.4%
11	Investigational	SmallMoleculeDrug	DB05014	XL999	NA	30.3%
12	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	29.4%
13	Investigational	SmallMoleculeDrug	DB06080	ABT-869	NA	28.4%
14	Experimental	SmallMoleculeDrug	DB07000	N-{2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]phenyl}ethanesulfonamide	CCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=CNC3=NC=C(C=C23)C2=CN=CC=C2)=C1F	27.3%
15	Investigational	SmallMoleculeDrug	DB05146	XL820	NA	26.8%
16	Approved	BiotechDrug	DB10770	Foreskin fibroblast (neonatal)	NA	25.2%
17	Investigational	SmallMoleculeDrug	DB12742	Amuvatinib	S=C(NCC1=CC=C2OCOC2=C1)N1CCN(CC1)C1=NC=NC2=C1OC1=C2C=CC=C1	24.5%
18	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	24.5%
19	Experimental	SmallMoleculeDrug	DB06999	N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide	CCCS(=O)(=O)NC1=C(F)C(C(=O)C2=CNC3=NC=C(Cl)C=C23)=C(F)C=C1	23.7%
20	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	22.5%