SCHEMBL7866176

SCHEMBL7866176

COc1ccc(C)cc1S(=O)(=O)c1ccc(C(=O)N2CCOc3ccc(-c4ccc5nc(C)[nH]c5c4)cc3C2)c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.56
PRKDC P78527 1/20 0.43
CREBBP Q92793 1/20 0.40
GPR142 Q7Z601 1/20 0.38

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
SCHEMBL3755076 0.94 PIK3CA (0.55) PIK3CAPRKDCGPR142
SCHEMBL3760844 0.92 PIK3CA (0.57) PIK3CAPRKDCGPR142
SCHEMBL3758904 0.88 PIK3CA (0.59) PIK3CAPRKDCCREBBPGPR142
SCHEMBL3754020 0.86 PIK3CA (0.57) PIK3CAPRKDCGPR142
SCHEMBL3756240 0.86 PIK3CA (0.63) PIK3CA
SCHEMBL3755678 0.85 PIK3CA (0.65) PIK3CAPRKDC
SCHEMBL3757004 0.85 PIK3CA (0.65) PIK3CAPRKDCCREBBP
SCHEMBL3749446 0.85 PIK3CA (0.58) PIK3CAPRKDC
SCHEMBL3758220 0.85 PIK3CA (0.60) PIK3CAPRKDCGPR142
SCHEMBL3755858 0.85 PIK3CA (0.61) PIK3CAPRKDC

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-2010118208-A1 BENZOXAZEPIN-4- (5H) -YL DERIVATIVES AND THEIR USE TO TREAT CANCER EXELIXIS, INC. (US) 2010-10-14 WO disclosed