SCHEMBL1040757

SCHEMBL1040757

CC(C)c1n[nH]c(-c2nc3c(s2)CCOc2ccc(C(N)=O)cc2-3)n1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.53
PIK3C3 Q8NEB9 1/20 0.45
MAP3K14 Q99558 9/20 0.44
PIK3CD O00329 3/20 0.44
PIK3R1 P27986 1/20 0.44
PIK3CB P42338 4/20 0.39
PIK3CG P48736 2/20 0.38
NPY5R Q15761 2/20 0.37

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
SCHEMBL15663271 0.93 PIK3CA (0.62) PIK3CAPIK3C3PIK3CDPIK3CBPIK3CG
SCHEMBL15663311 0.84 PIK3CA (0.42) PIK3CAMAP3K14PIK3CDPIK3R1PIK3CB
SCHEMBL989573 0.84 PIK3CA (0.54) PIK3CAPIK3C3MAP3K14PIK3CDPIK3R1
SCHEMBL15663385 0.83 PIK3CA (0.57) PIK3CAPIK3C3MAP3K14PIK3CDPIK3CB
SCHEMBL15663284 0.80 PIK3CA (0.41) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL1083123 0.79 PIK3CA (0.55) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL988697 0.79 PIK3CA (0.41) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL1620834 0.79 PIK3CA (0.48) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL15663283 0.78 PIK3CA (0.56) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL15663282 0.77 PIK3CA (0.49) PIK3CAPIK3CDPIK3CBPIK3CG

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