SCHEMBL4636003

SCHEMBL4636003

COc1cc(Nc2nc3ccccc3nc2-c2ccccc2S(N)(=O)=O)cc(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.56
PIK3CD O00329 4/20 0.53
PIK3CG P48736 4/20 0.53
PIK3CB P42338 2/20 0.53
TYMS P04818 2/20 0.48
DHFR P00374 1/20 0.48
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TNF P01375 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
NOD2 Q9HC29 1/20 0.42
NOD1 Q9Y239 1/20 0.42
MTOR P42345 1/20 0.42
PRKDC P78527 1/20 0.42
RPTOR Q8N122 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
SCHEMBL27901625 0.86 PIK3CA (0.53) PIK3CAPIK3CDPIK3CGPIK3CBTYMS
SCHEMBL4539741 0.86 PIK3CA (0.48) PIK3CAPIK3CDPIK3CGPIK3CBTYMS
SCHEMBL4635547 0.85 PIK3CG (0.48) PIK3CAPIK3CDPIK3CGPIK3CBTYMS
SCHEMBL4847541 0.83 PIK3CA (0.52) PIK3CAPIK3CDPIK3CGPIK3CBTYMS
SCHEMBL27919341 0.83 PIK3CA (0.54) PIK3CAPIK3CDPIK3CGPIK3CBTYMS
SCHEMBL4635644 0.83 PIK3CG (0.45) PIK3CDPIK3CGMAPTTP53
SCHEMBL4339120 0.82 PIK3CG (0.51) PIK3CAPIK3CDPIK3CGPIK3CBMAPT
SCHEMBL27919185 0.82 PIK3CA (0.59) PIK3CAPIK3CDPIK3CGPIK3CBTYMS
SCHEMBL27901575 0.82 PIK3CA (0.51) PIK3CAPIK3CDPIK3CGPIK3CBTYMS
SCHEMBL27901724 0.82 PIK3CA (0.58) PIK3CAPIK3CDPIK3CGPIK3CBTYMS

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103202842-A Methods Of Treating By Inhibiting With Quinaxoline Inhibitors Of P13k-alpha EXELIXIS INC 2013-07-17 CN disclosed
CN-101959516-B Combination therapy comprising quinoxaline PI3K alpha inhibitors for the treatment of cancer EXELIXIS INC 2013-05-08 CN disclosed
EP-1931645-A2 N- (3-AMINO-QUINOXALIN-2-YL) -SULFONAMIDE DERIVATIVES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS Exelixis, Inc. (US) 2008-06-18 EP disclosed
WO-2007044729-A2 N- (3-AMINO-QUINOXALIN-2-YL) -SULFONAMIDE DERIVATIVES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS EXELIXIS, INC. (US) 2007-04-19 WO disclosed