SCHEMBL4636688

SCHEMBL4636688

COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(C(CC3CCCC3)C(N)=O)c2)cc(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 11/20 0.53
PIK3CD O00329 5/20 0.53
PIK3CA P42336 4/20 0.53
PIK3CB P42338 3/20 0.53
PRKDC P78527 2/20 0.49
MTOR P42345 1/20 0.49
RPTOR Q8N122 1/20 0.49
MLST8 Q9BVC4 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PIK3C2B O00750 1/20 0.45
PIK3C2G O75747 1/20 0.45
MAPT P10636 3/20 0.45
PIK3C3 Q8NEB9 1/20 0.44
ALDH1A1 P00352 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
SCHEMBL4636692 0.84 PIK3CG (0.53) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL4457141 0.84 PIK3CG (0.61) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL4496191 0.84 PIK3CD (0.64) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL4499069 0.83 PIK3CG (0.53) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL4342138 0.82 PIK3CG (0.60) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL3801923 0.81 PIK3CG (0.51) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL4669581 0.81 PIK3CG (0.57) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL3693364 0.81 PIK3CD (0.49) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL4777707 0.81 PIK3CG (0.52) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL4635286 0.81 PIK3CG (0.52) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC

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