SCHEMBL4635547

SCHEMBL4635547

COc1cc(Nc2nc3ccccc3nc2-c2cc(OC(F)(F)F)ccc2S(N)(=O)=O)cc(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 4/20 0.48
PIK3CA P42336 3/20 0.48
PIK3CD O00329 3/20 0.48
PIK3CB P42338 2/20 0.48
ALPL P05186 1/20 0.44
TYMS P04818 2/20 0.42
DHFR P00374 1/20 0.42
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MAPT P10636 4/20 0.38
TP53 P04637 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
PIM1 P11309 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
HTT P42858 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL4539741 0.86 PIK3CA (0.48) PIK3CGPIK3CAPIK3CDPIK3CBTYMS
SCHEMBL4636003 0.85 PIK3CA (0.56) PIK3CGPIK3CAPIK3CDPIK3CBTYMS
SCHEMBL4847541 0.77 PIK3CA (0.52) PIK3CGPIK3CAPIK3CDPIK3CBTYMS
SCHEMBL27919185 0.77 PIK3CA (0.59) PIK3CGPIK3CAPIK3CDPIK3CBTYMS
SCHEMBL27901625 0.76 PIK3CA (0.53) PIK3CGPIK3CAPIK3CDPIK3CBTYMS
SCHEMBL4519093 0.76 PIK3CG (0.55) PIK3CGPIK3CAPIK3CDPIK3CBTYMS
SCHEMBL4466147 0.76 PIK3CA (0.50) PIK3CGPIK3CAPIK3CDPIK3CBTYMS
SCHEMBL189753 0.75 PIK3CD (0.78) PIK3CGPIK3CAPIK3CDPIK3CBMAPT
SCHEMBL27919341 0.75 PIK3CA (0.54) PIK3CGPIK3CAPIK3CDPIK3CBTYMS
SCHEMBL27901575 0.75 PIK3CA (0.51) PIK3CGPIK3CAPIK3CDPIK3CBTYMS

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-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 claimed
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 claimed