SCHEMBL13655404

SCHEMBL13655404

Nc1ccc2c(c1)OCCc1cc(-c3ccnc(N)c3)sc1-2

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
NOTUM Q6P988 1/20 0.39
DYRK1A Q13627 1/20 0.38
CDC7 O00311 1/20 0.38
DBF4 Q9UBU7 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
SCHEMBL990269 0.86 PIK3CA (0.44) PIK3CAPIK3CDPIK3CBPIK3CGNOTUM
SCHEMBL12836699 0.75 NOTUM (0.45) PIK3CAPIK3CDPIK3CBPIK3CGNOTUM
SCHEMBL1485245 0.74 PIK3CA (0.46) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL13655337 0.73 PIK3CA (0.76) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL989235 0.72 PIK3CA (0.55) PIK3CAPIK3CDPIK3CBPIK3CGNOTUM
SCHEMBL988342 0.71 PIK3CA (0.57) PIK3CAPIK3CDPIK3CBPIK3CGNOTUM
SCHEMBL990752 0.70 PIK3CA (0.43) PIK3CAPIK3CDPIK3CBPIK3CGNOTUM
SCHEMBL13655400 0.69 PIK3CA (0.79) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL13655305 0.69 PIK3CA (0.52) PIK3CAPIK3CDPIK3CBPIK3CGNOTUM
SCHEMBL13655398 0.69 PIK3CA (0.59) PIK3CAPIK3CBNOTUM

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