SCHEMBL4669581

SCHEMBL4669581

COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(C(C(N)=O)c3ccncc3)c2)cc(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 10/20 0.57
PIK3CD O00329 6/20 0.57
PIK3CA P42336 4/20 0.57
PIK3CB P42338 3/20 0.57
PIK3C2B O00750 1/20 0.51
PIK3C2G O75747 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
PRKDC P78527 2/20 0.50
MTOR P42345 1/20 0.50
RPTOR Q8N122 1/20 0.50
MLST8 Q9BVC4 1/20 0.50
MAPT P10636 2/20 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

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
SCHEMBL4457141 0.95 PIK3CG (0.61) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C2B
SCHEMBL4341666 0.92 PIK3CG (0.57) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C2B
SCHEMBL4342138 0.85 PIK3CG (0.60) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C2B
SCHEMBL4347625 0.82 PIK3CD (0.58) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C2B
SCHEMBL4636688 0.81 PIK3CG (0.53) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C2B
SCHEMBL4496191 0.81 PIK3CD (0.64) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C2B
SCHEMBL189466 0.81 PIK3CG (0.61) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C2B
SCHEMBL189591 0.81 PIK3CG (0.61) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C2B
SCHEMBL188712 0.81 PIK3CD (0.74) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C2B
SCHEMBL4348160 0.80 PIK3CG (0.54) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C2B

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