SCHEMBL3731387

SCHEMBL3731387

Cc1c(Cl)cccc1CN(C(=O)CNC(=O)O)c1nc(N2CCOCC2)sc1C#N

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 12/20 0.45
PIK3CB P42338 12/20 0.45
PIK3CA P42336 11/20 0.45
PIK3CG P48736 11/20 0.45
PIK3C2B O00750 5/20 0.40
MTOR P42345 2/20 0.40
RXFP1 Q9HBX9 2/20 0.39
P2RX7 Q99572 1/20 0.36

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL10151578 0.90 PIK3CD (0.41) PIK3CDPIK3CBPIK3CAPIK3CGPIK3C2B
SCHEMBL725152 0.90 PIK3CD (0.47) PIK3CDPIK3CBPIK3CAPIK3CGPIK3C2B
SCHEMBL725196 0.89 PIK3CD (0.46) PIK3CDPIK3CBPIK3CAPIK3CGPIK3C2B
SCHEMBL724663 0.86 PIK3CD (0.43) PIK3CDPIK3CBPIK3CAPIK3CGPIK3C2B
SCHEMBL14822803 0.85 PIK3CD (0.43) PIK3CDPIK3CBPIK3CAPIK3CGPIK3C2B
SCHEMBL18966051 0.78 PIK3CD (0.41) PIK3CDPIK3CBPIK3CAPIK3CGPIK3C2B
SCHEMBL726023 0.77 PIK3CB (0.48) PIK3CDPIK3CBPIK3CAPIK3CGPIK3C2B
SCHEMBL725869 0.76 PIK3CB (0.51) PIK3CDPIK3CBPIK3CAPIK3CGPIK3C2B
SCHEMBL18937092 0.72 PIK3CB (0.43) PIK3CDPIK3CBPIK3CAPIK3CGPIK3C2B
SCHEMBL10124842 0.71 PIK3CB (0.48) PIK3CDPIK3CBPIK3CAPIK3CGPIK3C2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2432321-B1 THIAZOLOPYRIMIDINONE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2017-06-14 EP disclosed
US-8410095-B2 Thiazolopyrimidinone derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2013-04-02 US disclosed
WO-2010135504-A1 THIAZOLOPYRIMIDINONE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2010-11-25 WO disclosed