SCHEMBL13655299

SCHEMBL13655299

CNC(=O)c1ccc(N(C)C(=O)c2nc3c(s2)CCOc2cc(N)ccc2-3)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.60
PIK3CB P42338 13/20 0.57
PIK3CD O00329 1/20 0.57
MTOR P42345 1/20 0.57
PIK3CG P48736 1/20 0.57
PRKDC P78527 1/20 0.57

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
SCHEMBL12535438 0.94 PIK3CA (0.65) PIK3CAPIK3CBPIK3CDMTORPIK3CG
SCHEMBL13655315 0.94 PIK3CA (0.56) PIK3CAPIK3CBPIK3CDMTORPIK3CG
SCHEMBL990106 0.90 PIK3CA (0.58) PIK3CAPIK3CBPIK3CDMTORPIK3CG
SCHEMBL1931800 0.89 PIK3CA (0.56) PIK3CAPIK3CBPIK3CDMTORPIK3CG
SCHEMBL12535430 0.88 PIK3CA (0.56) PIK3CAPIK3CBPIK3CDMTORPIK3CG
SCHEMBL12535552 0.83 PIK3CA (0.52) PIK3CAPIK3CBPIK3CDMTORPIK3CG
SCHEMBL13655393 0.81 PIK3CA (0.90) PIK3CAPIK3CBPIK3CDMTORPIK3CG
SCHEMBL15663417 0.80 PIK3CA (0.57) PIK3CAPIK3CBPIK3CDMTORPIK3CG
SCHEMBL987841 0.80 PIK3CA (0.76) PIK3CAPIK3CBPIK3CDMTORPIK3CG
SCHEMBL15663478 0.77 PIK3CA (0.52) 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