SCHEMBL13655402

SCHEMBL13655402

Nc1ccc2c(c1)-c1sc(-c3nncn3-c3ccc(F)cc3Cl)cc1CCO2

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.64
EED O75530 1/20 0.34
SUZ12 Q15022 1/20 0.34
EZH2 Q15910 1/20 0.34
PIK3CB P42338 2/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CG P48736 1/20 0.33

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
SCHEMBL1038152 0.90 PIK3CA (0.64) PIK3CAEEDSUZ12EZH2PIK3CB
SCHEMBL1043508 0.88 PIK3CA (0.70) PIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL1037445 0.87 PIK3CA (0.61) PIK3CAEEDSUZ12EZH2PIK3CB
SCHEMBL1041579 0.81 PIK3CA (0.81) PIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL989959 0.81 PIK3CA (0.67) PIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL989355 0.81 PIK3CA (0.56) PIK3CAPIK3CBPIK3CDPIK3CG
Hydrochloric Acid SCHEMBL1081966 0.81 PIK3CA (0.80) PIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL990678 0.79 PIK3CA (0.61) PIK3CAPIK3CBPIK3CG
SCHEMBL1038805 0.78 PIK3CA (1.00) PIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL1040000 0.78 PIK3CA (0.55) PIK3CAPIK3CBPIK3CDPIK3CG

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