SCHEMBL3633883

SCHEMBL3633883

CC(C)COC(=O)N1CCN(c2cnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)c5ccccc5)c4)cc3n2)CC1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 9/20 0.67
PIK3CG P48736 9/20 0.67
MTOR P42345 5/20 0.67
PIK3CA P42336 12/20 0.63
PIK3CD O00329 12/20 0.63
PRKDC P78527 1/20 0.57
PIK3C3 Q8NEB9 1/20 0.57
AKT1 P31749 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
SCHEMBL3085931 0.88 PIK3CG (0.68) PIK3CBPIK3CGMTORPIK3CAPIK3CD
SCHEMBL3094883 0.88 PIK3CG (0.85) PIK3CBPIK3CGMTORPIK3CAPIK3CD
SCHEMBL3632905 0.87 PIK3CG (0.49) PIK3CBPIK3CGMTORPIK3CAPIK3CD
SCHEMBL3084297 0.84 PIK3CA (0.70) PIK3CBPIK3CGMTORPIK3CAPIK3CD
SCHEMBL3082086 0.83 PIK3CD (0.71) PIK3CBPIK3CGMTORPIK3CAPIK3CD
SCHEMBL3072056 0.83 PIK3CD (0.68) PIK3CBPIK3CGMTORPIK3CAPIK3CD
SCHEMBL3091501 0.82 PIK3CG (0.68) PIK3CBPIK3CGMTORPIK3CAPIK3CD
SCHEMBL3092697 0.81 PIK3CA (0.70) PIK3CBPIK3CGMTORPIK3CAPIK3CD
SCHEMBL3091645 0.81 PIK3CD (0.84) PIK3CBPIK3CGMTORPIK3CAPIK3CD
SCHEMBL3092416 0.81 PIK3CA (0.64) PIK3CBPIK3CGMTORPIK3CAPIK3CD

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