SCHEMBL3635690

SCHEMBL3635690

CC(C)COC(=O)N1CCN(c2cnc3ccc(-c4cncc(NS(=O)(=O)c5ccccc5)c4)cc3n2)C(=O)C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.43
PIK3CG P48736 7/20 0.43
PIK3CB P42338 7/20 0.43
PIK3CD O00329 4/20 0.43
PIK3R1 P27986 1/20 0.43
MTOR P42345 4/20 0.40
PRF1 P14222 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
P2RY12 Q9H244 1/20 0.37
AKT1 P31749 1/20 0.37

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
SCHEMBL3632905 0.89 PIK3CG (0.49) PIK3CAPIK3CGPIK3CBPIK3CDPIK3R1
SCHEMBL3087904 0.89 PIK3CG (0.42) PIK3CAPIK3CGPIK3CBPIK3CDPIK3R1
SCHEMBL13706388 0.88 PIK3CA (0.43) PIK3CAPIK3CGPIK3CBPIK3CDPIK3R1
SCHEMBL3091985 0.82 PIK3CG (0.47) PIK3CAPIK3CGPIK3CBPIK3CDPIK3R1
SCHEMBL3083436 0.79 PIK3CB (0.48) PIK3CAPIK3CGPIK3CBMTORPRF1
SCHEMBL3097990 0.77 PIK3CG (0.48) PIK3CAPIK3CGPIK3CBPIK3CDMTOR
SCHEMBL3078390 0.77 CKS1B (0.51) PIK3CAPIK3CGPIK3CBPIK3CDPIK3R1
SCHEMBL3091718 0.77 PIK3CA (0.48) PIK3CAPIK3CGPIK3CBPIK3CDPIK3R1
SCHEMBL3633883 0.76 PIK3CB (0.67) PIK3CAPIK3CGPIK3CBPIK3CDMTOR
SCHEMBL3633859 0.76 SCN9A (0.40) GPR119

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-2150255-A1 QUINOXALINE DERIVATIVES AS P13 KINASE INHIBITORS Smithkline Beecham Corporation (US) 2010-02-10 EP disclosed
WO-2008141065-A1 QUINOXALINE DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-11-20 WO disclosed