SCHEMBL3462282

CC[C@@H](NC(=O)c1cccc(-c2cnc(N)c(C(=O)NC)n2)c1)c1ccccc1.CC[C@H](NC(=O)c1cccc(-c2cnc(N)c(C(=O)NC)n2)c1)c1ccccc1.CNC(=O)c1nc(-c2cccc(C(=O)N[C@@H]3C[C@H]3c3ccccc3)c2)cnc1N

nearest known ligand 0.48

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	ATR	Q13535	14/20	0.48

▸	PIK3CD	O00329	4/20	0.46

▸	PIK3CA	P42336	4/20	0.46

▸	PIK3CG	P48736	4/20	0.46

▸	PIK3CB	P42338	2/20	0.46

▸	MAPK1	P28482	1/20	0.44

▸	LDHA	P00338	1/20	0.43

▸	LDHB	P07195	1/20	0.43

▸	PRKDC	P78527	1/20	0.42

▸	ATM	Q13315	1/20	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
SCHEMBL3461418	0.90	ATR (0.57)	ATRPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL3461627	0.89	PIK3CD (0.57)	ATRPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL3462314	0.89	PIK3CD (0.57)	ATRPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL3460986	0.78	LDHB (0.60)	ATRPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL3461143	0.78	LDHB (0.60)	ATRPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL3461976	0.78	KDM1A (0.53)	ATRPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL3462613	0.78	KDM1A (0.53)	ATRPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL3462274	0.75	PIK3CD (0.58)	ATRPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL3460413	0.75	ATR (0.72)	ATRPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL3459905	0.74	ATR (0.74)	ATRPIK3CDPIK3CAPIK3CGPIK3CB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-7704995-B2	Protein kinase modulators and methods of use	EXELIXIS, INC. (US)	2010-04-27	—	—	US	claimed