SCHEMBL989395

SCHEMBL989395

CN(C(=O)c1cc2c(s1)-c1ccccc1OCC2CBr)c1ccccc1Cl

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.65
PIK3CB P42338 12/20 0.63
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51

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
SCHEMBL989315 0.87 PIK3CA (0.68) PIK3CAPIK3CB
SCHEMBL12535826 0.77 PIK3CA (0.77) PIK3CAPIK3CBTP53MAPT
SCHEMBL989606 0.77 PIK3CA (1.00) PIK3CAPIK3CB
SCHEMBL988058 0.77 PIK3CA (0.67) PIK3CAPIK3CBTP53MAPT
SCHEMBL988314 0.74 PIK3CA (0.80) PIK3CAPIK3CB
SCHEMBL989168 0.73 PIK3CA (0.81) PIK3CAPIK3CB
SCHEMBL990615 0.72 PIK3CA (0.73) PIK3CAPIK3CB
SCHEMBL988227 0.72 PIK3CA (0.63) PIK3CAPIK3CB
SCHEMBL989360 0.70 PIK3CA (0.83) PIK3CAPIK3CB
SCHEMBL989208 0.70 PIK3CA (0.82) 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