SCHEMBL4635562

SCHEMBL4635562

COc1cc(Nc2nc3ccccc3nc2-c2nc(NCCN(C)C)ccc2S(N)(=O)=O)cc(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.47
PIK3CA P42336 3/20 0.45
PIK3CG P48736 8/20 0.43
PIK3CB P42338 2/20 0.43
PDE5A O76074 1/20 0.41
TYMS P04818 2/20 0.39
DHFR P00374 1/20 0.39
TERT O14746 1/20 0.37
TOP2A P11388 1/20 0.36
MTOR P42345 1/20 0.35
PRKDC P78527 1/20 0.35
RPTOR Q8N122 1/20 0.35
MLST8 Q9BVC4 1/20 0.35
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TNF P01375 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL4516048 0.85 PIK3CD (0.48) PIK3CDPIK3CAPIK3CGPIK3CBTYMS
SCHEMBL4466147 0.82 PIK3CA (0.50) PIK3CDPIK3CAPIK3CGPIK3CBTYMS
SCHEMBL4847541 0.80 PIK3CA (0.52) PIK3CDPIK3CAPIK3CGPIK3CBTYMS
SCHEMBL3688696 0.78 PIK3CD (0.56) PIK3CDPIK3CAPIK3CGPIK3CBTYMS
SCHEMBL27901625 0.77 PIK3CA (0.53) PIK3CDPIK3CAPIK3CGPIK3CBTYMS
SCHEMBL4489850 0.76 PIK3CD (0.49) PIK3CDPIK3CAPIK3CGPIK3CBTYMS
SCHEMBL4636003 0.76 PIK3CA (0.56) PIK3CDPIK3CAPIK3CGPIK3CBTYMS
SCHEMBL188530 0.75 PIK3CD (0.66) PIK3CDPIK3CAPIK3CGPIK3CBMTOR
SCHEMBL27901724 0.72 PIK3CA (0.58) PIK3CDPIK3CAPIK3CGPIK3CBTYMS
SCHEMBL4539741 0.72 PIK3CA (0.48) PIK3CDPIK3CAPIK3CGPIK3CBTYMS

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