SCHEMBL4635250

SCHEMBL4635250

COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(N(F)C(=O)CC(C)C)c2)cc(OC)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 9/20 0.61
PIK3CD O00329 4/20 0.61
PIK3CA P42336 3/20 0.61
PIK3CB P42338 2/20 0.61
MTOR P42345 1/20 0.49
PRKDC P78527 1/20 0.49
RPTOR Q8N122 1/20 0.49
MLST8 Q9BVC4 1/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 3/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TNF P01375 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NOD2 Q9HC29 1/20 0.47
NOD1 Q9Y239 1/20 0.47
PIK3C2B O00750 1/20 0.46

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
SCHEMBL189300 0.84 PIK3CD (0.60) PIK3CGPIK3CDPIK3CAPIK3CBMTOR
SCHEMBL189008 0.84 PIK3CG (0.57) PIK3CGPIK3CDPIK3CAPIK3CBMTOR
SCHEMBL14053604 0.83 PIK3CD (0.60) PIK3CGPIK3CDPIK3CAPIK3CBMTOR
SCHEMBL189467 0.83 PIK3CG (0.60) PIK3CGPIK3CDPIK3CAPIK3CBMTOR
SCHEMBL27716356 0.83 PIK3CD (0.60) PIK3CGPIK3CDPIK3CAPIK3CBMTOR
SCHEMBL189299 0.82 PIK3CD (0.58) PIK3CGPIK3CDPIK3CAPIK3CBMTOR
SCHEMBL2281157 0.82 PIK3CD (0.59) PIK3CGPIK3CDPIK3CAPIK3CBMTOR
SCHEMBL2278371 0.82 PIK3CD (0.59) PIK3CGPIK3CDPIK3CAPIK3CBMTOR
SCHEMBL189153 0.82 PIK3CG (0.69) PIK3CGPIK3CDPIK3CAPIK3CBMTOR
SCHEMBL190166 0.81 PIK3CD (0.59) PIK3CGPIK3CDPIK3CAPIK3CBMTOR

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