SCHEMBL21099893

SCHEMBL21099893

CCCc1ccccc1Oc1cccc2c(=O)cc(N3CCOCC3)[nH]c12

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 7/20 0.70
PIK3CA P42336 12/20 0.65
PIK3CD O00329 2/20 0.65
PIK3CB P42338 2/20 0.65
APAF1 O14727 1/20 0.43
CDC25B P30305 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
PRKDC P78527 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL29561311 0.84 PIK3CA (0.81) PIK3CGPIK3CAPIK3CDPIK3CBAPAF1
SCHEMBL3194294 0.84 PIK3CA (0.81) PIK3CGPIK3CAPIK3CDPIK3CBAPAF1
SCHEMBL4807667 0.82 PIK3CG (1.00) PIK3CGPIK3CAPIK3CDPIK3CBAPAF1
SCHEMBL4412270 0.82 PIK3CG (0.83) PIK3CGPIK3CAPIK3CDPIK3CBAPAF1
SCHEMBL4283911 0.80 PIK3CG (0.66) PIK3CGPIK3CAPIK3CDPIK3CBAPAF1
SCHEMBL4808558 0.79 PIK3CG (0.82) PIK3CGPIK3CAPIK3CDPIK3CBAPAF1
SCHEMBL4413439 0.79 PIK3CA (1.00) PIK3CGPIK3CAPIK3CDPIK3CBAPAF1
SCHEMBL30531414 0.79 PIK3CA (1.00) PIK3CGPIK3CAPIK3CDPIK3CBAPAF1
SCHEMBL4807074 0.78 PIK3CG (0.74) PIK3CGPIK3CAPIK3CDPIK3CBAPAF1
SCHEMBL909580 0.78 PIK3CG (1.00) PIK3CGPIK3CAPIK3CDPIK3CBAPAF1

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
EP-2551270-B1 PYRAZOLOPYRIMIDINE DERIVATIVES FOR USE AS PI3 KINASE ANTAGONISTS UNIV CALIFORNIA (US) 2019-06-12 EP disclosed