SCHEMBL13655401

SCHEMBL13655401

CN(C)C(=O)c1ccc(N(C)C(=O)c2cc3c(s2)-c2nc(N)ccc2OCC3)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.49
PIK3CB P42338 11/20 0.48
PIK3CD O00329 1/20 0.47
MTOR P42345 1/20 0.47
PIK3CG P48736 1/20 0.47
PRKDC P78527 1/20 0.47
MAPT P10636 1/20 0.40

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
SCHEMBL989867 0.91 PIK3CA (0.53) PIK3CAPIK3CBPIK3CDMTORPIK3CG
SCHEMBL988635 0.86 PIK3CA (0.47) PIK3CAPIK3CBPIK3CDMTORPIK3CG
SCHEMBL989617 0.83 PIK3CA (0.53) PIK3CAPIK3CBPIK3CDMTORPIK3CG
SCHEMBL12535145 0.71 PIK3CA (0.79) PIK3CAPIK3CBPIK3CDMTORPIK3CG
SCHEMBL1484737 0.70 NOTUM (0.57) PIK3CAPIK3CB
SCHEMBL1484678 0.68 NOTUM (0.47) PIK3CAPIK3CB
SCHEMBL989011 0.68 PIK3CA (0.70) PIK3CAPIK3CBPIK3CDMTORPIK3CG
SCHEMBL12535925 0.67 PIK3CA (0.61) PIK3CAPIK3CBPIK3CDMTORPIK3CG
SCHEMBL988209 0.67 PIK3CA (0.61) PIK3CAPIK3CBPIK3CDMTORPIK3CG
SCHEMBL989466 0.67 PIK3CA (0.82) PIK3CAPIK3CBPIK3CDMTORPIK3CG

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