SCHEMBL13655406

SCHEMBL13655406

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

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.65
KDM4E B2RXH2 3/20 0.59
ALDH1A1 P00352 2/20 0.59
GAA P10253 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
NOTUM Q6P988 1/20 0.57
MAPT P10636 5/20 0.52
TP53 P04637 4/20 0.52
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.47
PIK3CB P42338 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL988504 0.94 PIK3CA (0.69) PIK3CAKDM4EALDH1A1GAAL3MBTL1
SCHEMBL989457 0.90 PIK3CA (0.65) PIK3CAKDM4EALDH1A1GAAL3MBTL1
SCHEMBL989618 0.90 PIK3CA (0.64) PIK3CAKDM4EALDH1A1GAAL3MBTL1
SCHEMBL989339 0.89 PIK3CA (0.64) PIK3CAKDM4EALDH1A1GAAL3MBTL1
SCHEMBL989458 0.89 PIK3CA (0.62) PIK3CAKDM4EALDH1A1GAAL3MBTL1
SCHEMBL987960 0.89 PIK3CA (0.62) PIK3CAKDM4EALDH1A1GAAL3MBTL1
SCHEMBL988577 0.88 PIK3CA (0.61) PIK3CAKDM4EALDH1A1GAAL3MBTL1
SCHEMBL989641 0.88 PIK3CA (0.61) PIK3CAKDM4EALDH1A1GAAL3MBTL1
SCHEMBL991657 0.87 PIK3CA (0.61) PIK3CAKDM4EALDH1A1GAAL3MBTL1
SCHEMBL989578 0.86 PIK3CA (0.60) 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 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