SCHEMBL4540221

SCHEMBL4540221

CCC(=O)N(C(=O)C1CNC1)c1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cc(OC)cc(OC)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.55
PIK3CG P48736 11/20 0.51
PIK3CA P42336 4/20 0.51
PIK3CB P42338 3/20 0.51
MAPT P10636 3/20 0.46
PRKDC P78527 2/20 0.46
MTOR P42345 1/20 0.46
RPTOR Q8N122 1/20 0.46
MLST8 Q9BVC4 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.43
PIK3C3 Q8NEB9 1/20 0.43
PIK3C2B O00750 1/20 0.42
PIK3C2G O75747 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
SCHEMBL4454726 0.93 PIK3CD (0.55) PIK3CDPIK3CGPIK3CAPIK3CBMAPT
SCHEMBL3691116 0.92 PIK3CD (0.55) PIK3CDPIK3CGPIK3CAPIK3CBMAPT
SCHEMBL3803465 0.89 PIK3CD (0.56) PIK3CDPIK3CGPIK3CAPIK3CBMAPT
SCHEMBL4459854 0.86 PIK3CD (0.57) PIK3CDPIK3CGPIK3CAPIK3CBMAPT
SCHEMBL4343994 0.86 PIK3CD (0.54) PIK3CDPIK3CGPIK3CAPIK3CBMAPT
SCHEMBL3689501 0.85 PIK3CG (0.53) PIK3CDPIK3CGPIK3CAPIK3CBMAPT
SCHEMBL4344190 0.83 PIK3CD (0.51) PIK3CDPIK3CGPIK3CAPIK3CBMAPT
SCHEMBL3807113 0.83 PIK3CD (0.51) PIK3CDPIK3CGPIK3CAPIK3CBMAPT
SCHEMBL4565351 0.82 PIK3CD (0.59) PIK3CDPIK3CGPIK3CAPIK3CBMAPT
SCHEMBL4338556 0.82 PIK3CG (0.57) PIK3CDPIK3CGPIK3CAPIK3CBMAPT

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 3 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
WO-2012065057-A2 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS AND METHODS OF THEIR USE EXELIXIS, INC. (US) 2012-05-18 WO disclosed