SCHEMBL3801923

SCHEMBL3801923

COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(C(C(N)=O)N3CCCC3C)c2)cc(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 9/20 0.51
PIK3CD O00329 5/20 0.51
PIK3CA P42336 4/20 0.51
PIK3CB P42338 3/20 0.51
PRKDC P78527 2/20 0.46
PIK3C2B O00750 1/20 0.46
PIK3C2G O75747 1/20 0.46
MTOR P42345 1/20 0.46
RPTOR Q8N122 1/20 0.46
MLST8 Q9BVC4 1/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
MAPT P10636 5/20 0.44
PIK3C3 Q8NEB9 1/20 0.43
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
LMNA P02545 3/20 0.42
HTT P42858 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 2/20 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
SCHEMBL4499069 0.92 PIK3CG (0.53) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL4635228 0.89 PIK3CG (0.49) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL4777707 0.89 PIK3CG (0.52) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL4635286 0.85 PIK3CG (0.52) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL4635233 0.85 PIK3CD (0.52) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL4523041 0.85 PIK3CG (0.58) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL4667949 0.84 PIK3CG (0.55) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL3693364 0.84 PIK3CD (0.49) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL4666739 0.84 PIK3CG (0.50) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL4636096 0.83 PIK3CD (0.55) 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-2139483-A2 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER Exelixis, Inc. (US) 2010-01-06 EP claimed
WO-2008127594-A2 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS, INC. (US) 2008-10-23 WO claimed