SCHEMBL4635353

SCHEMBL4635353

COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(C(=O)NCCC(=O)O)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 13/20 0.61
PIK3CD O00329 5/20 0.61
PIK3CA P42336 1/20 0.61
PIK3CB P42338 1/20 0.61
PRKDC P78527 1/20 0.61
PIK3C3 Q8NEB9 1/20 0.61
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
PIK3C2B O00750 1/20 0.48
PIK3C2G O75747 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
SCHEMBL190128 0.94 PIK3CG (0.61) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL189516 0.92 PIK3CG (0.63) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL189170 0.92 PIK3CG (0.63) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL187815 0.91 PIK3CG (0.64) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL189916 0.91 PIK3CG (0.58) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL189285 0.91 PIK3CD (0.63) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL188531 0.90 PIK3CD (0.69) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL189408 0.90 PIK3CG (0.60) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL14053338 0.90 PIK3CG (0.66) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL189903 0.89 PIK3CG (0.59) 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