SCHEMBL989422

SCHEMBL989422

CN(C(=O)c1cc2c(s1)-c1cc(C(=O)N3CCC(O)C3)ccc1OC2)c1ccc(F)cc1F

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.55
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NOTUM Q6P988 1/20 0.46
MAPT P10636 4/20 0.46
TP53 P04637 2/20 0.46
PIK3CB P42338 3/20 0.43
RXFP1 Q9HBX9 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL12535807 1.00 PIK3CA (0.55) PIK3CAKDM4EALDH1A1GAAL3MBTL1
SCHEMBL12535808 1.00 PIK3CA (0.55) PIK3CAKDM4EALDH1A1GAAL3MBTL1
SCHEMBL12535793 0.95 PIK3CA (0.54) PIK3CAKDM4EALDH1A1GAAL3MBTL1
SCHEMBL988460 0.95 PIK3CA (0.54) PIK3CAKDM4EALDH1A1GAAL3MBTL1
SCHEMBL990013 0.95 PIK3CA (0.54) PIK3CAKDM4EALDH1A1GAAL3MBTL1
SCHEMBL989557 0.95 PIK3CA (0.57) PIK3CAKDM4EALDH1A1GAAL3MBTL1
SCHEMBL990974 0.88 PIK3CA (0.59) PIK3CAKDM4EALDH1A1GAAL3MBTL1
SCHEMBL990292 0.87 PIK3CA (0.61) PIK3CAKDM4EALDH1A1GAAL3MBTL1
SCHEMBL990225 0.85 PIK3CA (0.52) PIK3CAKDM4EALDH1A1GAAL3MBTL1
SCHEMBL990223 0.85 PIK3CA (0.52) PIK3CAKDM4EALDH1A1GAAL3MBTL1

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