SCHEMBL989709

SCHEMBL989709

CC(C)N(O)C(=O)c1ccc(N(C)C(=O)c2cc3c(s2)-c2ccccc2OCC3)c(Cl)c1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.73
PIK3CB P42338 12/20 0.73
PIK3CD O00329 1/20 0.64
MTOR P42345 1/20 0.64
PIK3CG P48736 1/20 0.64
PRKDC P78527 1/20 0.64

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
SCHEMBL989480 0.90 PIK3CA (0.79) PIK3CAPIK3CBPIK3CDMTORPIK3CG
SCHEMBL989694 0.89 PIK3CA (0.79) PIK3CAPIK3CBPIK3CDMTORPIK3CG
SCHEMBL988523 0.87 PIK3CA (0.72) PIK3CAPIK3CBPIK3CDMTORPIK3CG
SCHEMBL989335 0.86 PIK3CA (0.87) PIK3CAPIK3CBPIK3CDMTORPIK3CG
SCHEMBL988623 0.86 PIK3CA (0.71) PIK3CAPIK3CBPIK3CDMTORPIK3CG
SCHEMBL989922 0.86 PIK3CA (0.83) PIK3CAPIK3CBPIK3CDMTORPIK3CG
SCHEMBL989710 0.85 PIK3CA (0.69) PIK3CAPIK3CBPIK3CDMTORPIK3CG
SCHEMBL989957 0.85 PIK3CA (0.68) PIK3CAPIK3CBPIK3CDMTORPIK3CG
SCHEMBL989606 0.85 PIK3CA (1.00) PIK3CAPIK3CB
SCHEMBL987795 0.84 PIK3CA (0.82) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2276767-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2011-01-26 EP disclosed
WO-2009123971-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-10-08 WO disclosed