SCHEMBL989384

SCHEMBL989384

CC(=O)NCc1ccc2c(c1)OCCc1sc(-c3nc(C(C)C)n[nH]3)nc1-2

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.64
PIK3CB P42338 16/20 0.64
PIK3CG P48736 7/20 0.64
PIK3CD O00329 6/20 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
SCHEMBL1039094 0.87 PIK3CA (0.61) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL15663282 0.85 PIK3CA (0.49) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL15663271 0.81 PIK3CA (0.62) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL989383 0.78 PIK3CA (1.00) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL1620374 0.78 PIK3CA (0.45) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL1040757 0.76 PIK3CA (0.53) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL15663274 0.76 PIK3CA (0.49) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL990167 0.76 PIK3CA (0.70) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL15663311 0.75 PIK3CA (0.42) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL15663273 0.75 PIK3CA (0.65) PIK3CAPIK3CBPIK3CGPIK3CD

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-2276767-B1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2014-05-07 EP claimed
EP-2276767-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2011-01-26 EP claimed
WO-2009123971-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-10-08 WO claimed