SCHEMBL988973

SCHEMBL988973

CNC(=O)c1ccc(N(C)C(=O)N2CC3=C(CCOc4cc(Br)ccc43)S2)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.53
PIK3CB P42338 11/20 0.51
PIK3CD O00329 1/20 0.51
MTOR P42345 1/20 0.51
PIK3CG P48736 1/20 0.51
PRKDC P78527 1/20 0.51
MAOB P27338 1/20 0.32

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
SCHEMBL989977 0.89 PIK3CA (0.51) PIK3CAPIK3CBPIK3CDMTORPIK3CG
SCHEMBL1516834 0.77 PRMT5 (0.34) PIK3CAMAOB
SCHEMBL988531 0.77 PIK3CA (0.89) PIK3CAPIK3CBPIK3CDMTORPIK3CG
SCHEMBL1516817 0.76 PRMT5 (0.34) MAOB
SCHEMBL990106 0.75 PIK3CA (0.58) PIK3CAPIK3CBPIK3CDMTORPIK3CG
SCHEMBL988493 0.75 PRMT5 (0.35) MAOB
SCHEMBL1516787 0.74 PRMT5 (0.34) PIK3CAMAOB
SCHEMBL15663478 0.74 PIK3CA (0.52) PIK3CAPIK3CBPIK3CDMTORPIK3CG
SCHEMBL989428 0.73 TAS1R3 (0.41) PIK3CAPIK3CB
SCHEMBL1516933 0.72 MAPT (0.31)

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
EP-2276767-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2011-01-26 EP disclosed