SCHEMBL13655289

SCHEMBL13655289

Cc1ccccc1C1=C(c2cc3c(s2)-c2ncccc2OCC3)NC(N)N1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.52
NOTUM Q6P988 1/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 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
SCHEMBL13655395 0.76 PIK3CA (0.67) PIK3CANOTUMPIK3CB
SCHEMBL989463 0.71 PIK3CA (0.54) PIK3CANOTUMPIK3CDPIK3CBPIK3CG
SCHEMBL989431 0.70 PIK3CA (0.80) PIK3CANOTUMPIK3CB
SCHEMBL988574 0.70 PIK3CA (0.53) PIK3CANOTUMPIK3CB
SCHEMBL1038682 0.70 PIK3CA (0.66) PIK3CANOTUMPIK3CB
SCHEMBL12535008 0.70 PIK3CA (0.66) PIK3CANOTUMPIK3CB
SCHEMBL989272 0.69 PIK3CA (1.00) PIK3CANOTUMPIK3CB
SCHEMBL988898 0.68 PIK3CA (0.53) PIK3CANOTUMPIK3CB
SCHEMBL15663453 0.68 PIK3CA (0.49) PIK3CANOTUMPIK3CDPIK3CBPIK3CG
SCHEMBL989089 0.68 PIK3CA (0.51) PIK3CANOTUMPIK3CDPIK3CBPIK3CG

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