SCHEMBL2331903

COC(=O)OC1CCCN1S(=O)(=O)c1ccccc1-c1ccc2nc(N)nc(C(=O)N3Cc4ccccc4C3)c2c1.Nc1nc(C(=O)N2Cc3ccccc3C2)c2cc(-c3ccccc3S(=O)(=O)N3CCCC3OC(=O)O)ccc2n1

nearest known ligand 0.51

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	HSP90AA1	P07900	11/20	0.51

▸	HSP90AB1	P08238	3/20	0.46

▸	OPRM1	P35372	1/20	0.39

▸	OPRK1	P41145	1/20	0.39

▸	FEN1	P39748	6/20	0.37

▸	ALOX5AP	P20292	6/20	0.37

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
SCHEMBL17387515	0.98	HSP90AA1 (0.53)	HSP90AA1HSP90AB1OPRM1OPRK1FEN1
SCHEMBL17387527	0.95	HSP90AA1 (0.56)	HSP90AA1HSP90AB1OPRM1OPRK1FEN1
SCHEMBL2512188	0.87	HSP90AA1 (0.55)	HSP90AA1HSP90AB1FEN1ALOX5AP
SCHEMBL2334668	0.86	HSP90AA1 (0.54)	HSP90AA1HSP90AB1OPRM1OPRK1FEN1
SCHEMBL17387506	0.85	HSP90AA1 (0.59)	HSP90AA1HSP90AB1FEN1ALOX5AP
SCHEMBL17387508	0.85	HSP90AA1 (0.59)	HSP90AA1HSP90AB1FEN1ALOX5AP
SCHEMBL2510626	0.84	HSP90AA1 (0.59)	HSP90AA1HSP90AB1FEN1ALOX5AP
SCHEMBL12199683	0.84	HSP90AA1 (0.55)	HSP90AA1HSP90AB1FEN1ALOX5AP
SCHEMBL2331279	0.84	HSP90AA1 (0.59)	HSP90AA1HSP90AB1FEN1ALOX5AP
SCHEMBL2338746	0.83	HSP90AA1 (0.56)	HSP90AA1HSP90AB1FEN1ALOX5AP

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-2356110-A1	QUINAZOLINAMIDE DERIVATIVES	Merck Patent GmbH (DE)	2011-08-17	—	—	EP	disclosed
WO-2010066324-A1	QUINAZOLINAMIDE DERIVATIVES	MERCK PATENT GMBH (DE)	2010-06-17	—	—	WO	disclosed