SCHEMBL989397

SCHEMBL989397

CN(C(=O)c1sc2c(c1CBr)CCOc1ccccc1-2)c1ccccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.60
PIK3CB P42338 13/20 0.60

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
SCHEMBL988857 0.77 PIK3CA (0.62) PIK3CAPIK3CB
SCHEMBL1077709 0.77 PIK3CA (0.53) PIK3CAPIK3CB
SCHEMBL989606 0.75 PIK3CA (1.00) PIK3CAPIK3CB
SCHEMBL12535517 0.75 PIK3CA (0.64) PIK3CAPIK3CB
SCHEMBL990615 0.72 PIK3CA (0.73) PIK3CAPIK3CB
SCHEMBL989168 0.72 PIK3CA (0.81) PIK3CAPIK3CB
SCHEMBL15663305 0.70 PIK3CA (0.56) PIK3CAPIK3CB
SCHEMBL989395 0.70 PIK3CA (0.65) PIK3CAPIK3CB
SCHEMBL990978 0.68 PIK3CA (0.58) PIK3CAPIK3CB
SCHEMBL988314 0.68 PIK3CA (0.80) PIK3CAPIK3CB

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 2 patents. 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
WO-2009123971-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-10-08 WO disclosed