SCHEMBL988744

SCHEMBL988744

CNC(=O)c1ccc2c(c1)OCCc1sc(-c3ncnn3-c3cc(F)ccc3F)cc1-2

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.58
PIK3C3 Q8NEB9 2/20 0.52
PIK3CB P42338 2/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CG P48736 1/20 0.43
MAPK14 Q16539 1/20 0.35

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
SCHEMBL990173 0.90 PIK3CA (0.71) PIK3CAPIK3C3PIK3CBPIK3CDPIK3CG
SCHEMBL12535591 0.86 PIK3CA (0.72) PIK3CAPIK3C3PIK3CBPIK3CDPIK3CG
SCHEMBL12535571 0.83 PIK3CA (0.82) PIK3CAPIK3C3PIK3CBPIK3CDPIK3CG
SCHEMBL988745 0.83 PIK3CA (0.79) PIK3CAPIK3C3PIK3CBPIK3CDPIK3CG
SCHEMBL989584 0.78 PIK3CA (0.44) PIK3CAPIK3C3PIK3CBMAPK14
SCHEMBL12535587 0.77 PIK3CA (0.69) PIK3CAPIK3C3PIK3CBPIK3CDPIK3CG
SCHEMBL12535601 0.75 PIK3CA (0.88) PIK3CAPIK3C3PIK3CBPIK3CDPIK3CG
SCHEMBL13650131 0.74 PIK3CA (0.76) PIK3CAPIK3C3PIK3CBPIK3CDPIK3CG
SCHEMBL11967366 0.74 PIK3CA (0.67) PIK3CAPIK3C3PIK3CDPIK3CG
SCHEMBL12535640 0.73 PIK3CA (0.78) PIK3CAPIK3C3PIK3CBPIK3CDPIK3CG

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 claimed
WO-2009123971-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-10-08 WO claimed