SCHEMBL13655300

SCHEMBL13655300

CNC(=O)c1ccc(N(C)C(=O)c2cc3c(s2)-c2cc(C)ccc2OCC3)c(Cl)c1

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.81
PIK3CB P42338 14/20 0.76
PIK3CD O00329 1/20 0.76
MTOR P42345 1/20 0.76
PIK3CG P48736 1/20 0.76
PRKDC P78527 1/20 0.76

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
SCHEMBL990091 0.92 PIK3CA (0.81) PIK3CAPIK3CBPIK3CDMTORPIK3CG
SCHEMBL989335 0.90 PIK3CA (0.87) PIK3CAPIK3CBPIK3CDMTORPIK3CG
SCHEMBL988858 0.90 PIK3CA (1.00) PIK3CAPIK3CBPIK3CDMTORPIK3CG
SCHEMBL988656 0.89 PIK3CA (0.76) PIK3CAPIK3CBPIK3CDMTORPIK3CG
SCHEMBL990459 0.86 PIK3CA (1.00) PIK3CAPIK3CBPIK3CDMTORPIK3CG
SCHEMBL13655393 0.86 PIK3CA (0.90) PIK3CAPIK3CBPIK3CDMTORPIK3CG
SCHEMBL989226 0.86 PIK3CA (0.93) PIK3CAPIK3CBPIK3CDMTORPIK3CG
SCHEMBL988531 0.86 PIK3CA (0.89) PIK3CAPIK3CBPIK3CDMTORPIK3CG
SCHEMBL989415 0.85 PIK3CA (0.92) PIK3CAPIK3CBPIK3CDMTORPIK3CG
SCHEMBL12535570 0.84 PIK3CA (0.89) PIK3CAPIK3CBPIK3CDMTORPIK3CG

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009123971-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-10-08 WO disclosed