SCHEMBL22626476

COc1cc2c(cc1C=C(C)C)-c1c(c(C(=O)N3CCC(C(N)=O)CC(C/C(C)=C/c4cc5c(cc4OC)OCc4c(C(=O)N6CCCOC6)nn(-c6ccsc6)c4-5)C3)nn1-c1ccsc1)CO2

nearest known ligand 0.31

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	PIK3CD	O00329	1/20	0.31

▸	PIK3R2	O00459	1/20	0.31

▸	PIK3CA	P42336	1/20	0.31

▸	PIK3CB	P42338	1/20	0.31

▸	PIK3CG	P48736	1/20	0.31

▸	PIK3R5	Q8WYR1	1/20	0.31

▸	PIK3R3	Q92569	1/20	0.31

▸	UGCG	Q16739	1/20	0.30

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
SCHEMBL22626296	0.87	PIK3CD (0.36)	PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL16377953	0.85	ALDH1A1 (0.34)	PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL16377778	0.81	PIK3CD (0.34)	PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL16377693	0.80	PIK3CD (0.35)	PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL16377691	0.80	PIK3CD (0.37)	PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL20580158	0.80	PIK3CD (0.37)	PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL20579991	0.80	UGCG (0.34)	PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL16377694	0.80	UGCG (0.34)	PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL16377696	0.80	UGCG (0.34)	PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL16377690	0.80	PIK3CD (0.33)	PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG

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
EP-3013832-B1	PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF	MERCK PATENT GMBH (DE)	2020-11-04	—	—	EP	disclosed