SCHEMBL7110235

NC(=O)c1ccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3[nH]cnc23)cc1.N[C@H]1CC[C@H](Nc2nc(Nc3ccc(C=O)cc3)c3nc[nH]c3n2)CC1

nearest known ligand 0.59

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	FLT3	P36888	9/20	0.59

▸	PDGFRA	P16234	8/20	0.59

▸	CDK2	P24941	8/20	0.59

▸	KIT	P10721	2/20	0.50

▸	SYK	P43405	3/20	0.48

▸	CCNE1	P24864	4/20	0.44

▸	MAPK8	P45983	1/20	0.43

▸	MAPK9	P45984	1/20	0.43

▸	CDK1	P06493	1/20	0.43

▸	SRC	P12931	2/20	0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compound	similarity	top predicted	shared targets
SCHEMBL4898746	0.94	FLT3 (0.62)	FLT3PDGFRACDK2KITSYK
SCHEMBL4898733	0.94	FLT3 (0.62)	FLT3PDGFRACDK2KITSYK
SCHEMBL4899218	0.93	FLT3 (0.48)	FLT3PDGFRACDK2CCNE1CDK1
SCHEMBL4899194	0.93	FLT3 (0.48)	FLT3PDGFRACDK2CCNE1CDK1
SCHEMBL5891718	0.86	FLT3 (0.53)	FLT3PDGFRACDK2KITCCNE1
SCHEMBL5891707	0.86	FLT3 (0.53)	FLT3PDGFRACDK2KITCCNE1
SCHEMBL4890517	0.81	PDGFRA (0.49)	FLT3PDGFRACDK2KITSYK
SCHEMBL4890532	0.81	PDGFRA (0.49)	FLT3PDGFRACDK2KITSYK
SCHEMBL1590688	0.80	FLT3 (0.52)	FLT3PDGFRACDK2SYKCCNE1
SCHEMBL4894170	0.80	FLT3 (0.60)	FLT3PDGFRACDK2CCNE1CDK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1347975-A1	NOVEL PURINE DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES	Aventis Pharma S.A. (FR)	2003-10-01	—	—	EP	disclosed
WO-2002051843-A1	NOVEL PURINE DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES	AVENTIS PHARMA S.A. (FR)	2002-07-04	—	—	WO	disclosed