SCHEMBL3689501

SCHEMBL3689501

COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(N(C(C)=O)C(=O)C3CCNCC3)c2)cc(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 10/20 0.53
PIK3CD O00329 6/20 0.53
PIK3CA P42336 4/20 0.53
PIK3CB P42338 3/20 0.53
PRKDC P78527 2/20 0.47
MTOR P42345 1/20 0.47
RPTOR Q8N122 1/20 0.47
MLST8 Q9BVC4 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 1/20 0.44
PIK3C3 Q8NEB9 1/20 0.44
PIK3C2B O00750 1/20 0.43
PIK3C2G O75747 1/20 0.43
POLB P06746 1/20 0.42
GFER P55789 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
SCHEMBL3691116 0.93 PIK3CD (0.55) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL4346339 0.91 PIK3CD (0.56) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL4454726 0.90 PIK3CD (0.55) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL4565351 0.85 PIK3CD (0.59) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL4540221 0.85 PIK3CD (0.55) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL4338556 0.85 PIK3CG (0.57) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL3803465 0.81 PIK3CD (0.56) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL4343994 0.81 PIK3CD (0.54) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL4346342 0.80 PIK3CD (0.55) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL4459854 0.79 PIK3CD (0.57) 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 disclosed
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 disclosed