SCHEMBL4849672

SCHEMBL4849672

COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(C(N)=O)c3ccc(C)cc3)c2)cc(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.56
PIK3CA P42336 4/20 0.56
PIK3CG P48736 4/20 0.56
PIK3CB P42338 3/20 0.56
PRKDC P78527 2/20 0.53
MTOR P42345 1/20 0.53
RPTOR Q8N122 1/20 0.53
MLST8 Q9BVC4 1/20 0.53
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
MAPT P10636 7/20 0.50
PIK3C3 Q8NEB9 1/20 0.49
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PIK3C2B O00750 1/20 0.48

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
SCHEMBL189591 0.87 PIK3CG (0.61) PIK3CDPIK3CAPIK3CGPIK3CBPRKDC
SCHEMBL189466 0.87 PIK3CG (0.61) PIK3CDPIK3CAPIK3CGPIK3CBPRKDC
SCHEMBL4849694 0.86 PIK3CD (0.55) PIK3CDPIK3CAPIK3CGPIK3CBPRKDC
SCHEMBL251943 0.85 PIK3CG (0.58) PIK3CDPIK3CAPIK3CGPIK3CBPRKDC
SCHEMBL189367 0.83 PIK3CG (0.65) PIK3CDPIK3CAPIK3CGPIK3CBPRKDC
SCHEMBL4348160 0.83 PIK3CG (0.54) PIK3CDPIK3CAPIK3CGPIK3CBPRKDC
SCHEMBL189411 0.83 PIK3CG (0.68) PIK3CDPIK3CAPIK3CGPIK3CBPRKDC
SCHEMBL4636740 0.82 PIK3CG (0.55) PIK3CDPIK3CAPIK3CGPIK3CBPRKDC
SCHEMBL4636745 0.82 PIK3CG (0.59) PIK3CDPIK3CAPIK3CGPIK3CBPRKDC
SCHEMBL4457141 0.82 PIK3CG (0.61) PIK3CDPIK3CAPIK3CGPIK3CBPRKDC

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