SCHEMBL13655310

SCHEMBL13655310

Cc1ccc2c(c1)OCCc1cc(-c3ncnn3-c3ccccc3Cl)sc1-2

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.60
PIK3CB P42338 2/20 0.50
PIK3CD O00329 1/20 0.50
PIK3CG P48736 1/20 0.50

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
SCHEMBL12535949 0.90 PIK3CA (0.59) PIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL1042550 0.88 PIK3CA (0.56) PIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL1041179 0.80 PIK3CA (0.54) PIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL15663278 0.77 PIK3CA (0.47) PIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL16233202 0.77 PIK3CA (0.75) PIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL1620046 0.76 PIK3CA (0.67) PIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL1620270 0.76 PIK3CA (0.69) PIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL1042467 0.76 PIK3CA (0.59) PIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL1040771 0.75 PIK3CA (0.57) PIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL1042918 0.75 PIK3CA (0.75) PIK3CAPIK3CBPIK3CDPIK3CG

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