SCHEMBL13655400

SCHEMBL13655400

Nc1ccc2c(c1)OCCc1cc(-c3ncnn3-c3ccc(F)cc3F)sc1-2

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.79
PIK3C3 Q8NEB9 2/20 0.53
PIK3CD O00329 1/20 0.49
PIK3CB P42338 1/20 0.49
PIK3CG P48736 1/20 0.49

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
SCHEMBL1485101 0.89 PIK3CA (0.79) PIK3CAPIK3C3PIK3CDPIK3CBPIK3CG
SCHEMBL1040292 0.88 PIK3CA (1.00) PIK3CAPIK3C3PIK3CDPIK3CBPIK3CG
SCHEMBL1040974 0.88 PIK3CA (1.00) PIK3CAPIK3C3PIK3CDPIK3CBPIK3CG
SCHEMBL12535584 0.87 PIK3CA (0.75) PIK3CAPIK3C3PIK3CDPIK3CBPIK3CG
SCHEMBL12535964 0.86 PIK3CA (0.88) PIK3CAPIK3C3PIK3CDPIK3CBPIK3CG
SCHEMBL1484533 0.85 PIK3CA (0.73) PIK3CAPIK3C3PIK3CDPIK3CBPIK3CG
SCHEMBL1517658 0.84 PIK3CA (0.70) PIK3CAPIK3C3PIK3CDPIK3CBPIK3CG
SCHEMBL1037814 0.84 PIK3CA (0.79) PIK3CAPIK3C3PIK3CDPIK3CBPIK3CG
SCHEMBL12535571 0.83 PIK3CA (0.82) PIK3CAPIK3C3PIK3CDPIK3CBPIK3CG
SCHEMBL1039546 0.83 PIK3CA (0.88) PIK3CAPIK3C3PIK3CDPIK3CBPIK3CG

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