SCHEMBL807256

SCHEMBL807256

COc1cc(N2CCOCC2)ccc1-c1cc2cc(-c3cnc(OC)c(NS(=O)(=O)c4ccc(F)cc4F)c3)ccc2nc1N

nearest known ligand 0.87

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 13/20 0.87
PI4KA P42356 8/20 0.87
PIK3CA P42336 12/20 0.62
MTOR P42345 5/20 0.54
PIK3CD O00329 5/20 0.54
PIK3CB P42338 5/20 0.54
PIK3R1 P27986 2/20 0.54

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
SCHEMBL807250 0.94 PI4KA (0.76) PIK3CGPI4KAPIK3CAMTOR
SCHEMBL807176 0.93 PIK3CG (0.87) PIK3CGPI4KAPIK3CAMTORPIK3CD
SCHEMBL807085 0.93 PIK3CG (1.00) PIK3CGPI4KAPIK3CAMTORPIK3CD
SCHEMBL807249 0.93 PIK3CG (0.86) PIK3CGPI4KAPIK3CAMTORPIK3CD
SCHEMBL10277003 0.90 PIK3CG (0.88) PIK3CGPI4KAPIK3CAMTORPIK3CD
SCHEMBL807320 0.88 PIK3CG (0.72) PIK3CGPI4KAPIK3CAMTORPIK3CD
SCHEMBL806759 0.88 PIK3CG (0.88) PIK3CGPI4KAPIK3CAMTORPIK3CD
SCHEMBL807103 0.87 PI4KA (0.76) PIK3CGPI4KAPIK3CAMTOR
SCHEMBL807195 0.86 PI4KA (0.75) PIK3CGPI4KAPIK3CAMTOR
SCHEMBL798396 0.86 PIK3CG (0.86) PIK3CGPI4KAPIK3CAMTORPIK3CD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed