SCHEMBL790102

SCHEMBL790102

COc1ncc(-c2ccc3nc(N)c(Br)cc3c2)cc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 11/20 0.66
PI4KA P42356 10/20 0.62
PIK3CD O00329 5/20 0.59
PIK3CA P42336 4/20 0.58
MTOR P42345 3/20 0.58
PIK3R1 P27986 1/20 0.50
PIK3CB P42338 1/20 0.50

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
SCHEMBL807092 0.93 PI4KA (0.55) PIK3CGPI4KAPIK3CDPIK3CAMTOR
SCHEMBL790763 0.92 PIK3CG (0.62) PIK3CGPI4KAPIK3CDPIK3CAMTOR
SCHEMBL790869 0.88 PI4KA (0.62) PIK3CGPI4KAPIK3CDPIK3CAMTOR
SCHEMBL790186 0.88 PI4KA (0.53) PIK3CGPI4KAPIK3CDPIK3CAMTOR
SCHEMBL791172 0.84 PI4KA (0.68) PIK3CGPI4KAPIK3CDPIK3CAMTOR
SCHEMBL10277973 0.84 PI4KA (0.49) PIK3CGPI4KAPIK3CDPIK3CAMTOR
SCHEMBL789337 0.84 PIK3CG (0.77) PIK3CGPI4KAPIK3CDPIK3CAMTOR
SCHEMBL790388 0.83 PIK3CG (0.56) PIK3CGPI4KAPIK3CAMTOR
SCHEMBL790832 0.81 PIK3CG (0.51) PIK3CGPI4KAPIK3CDPIK3CAMTOR
SCHEMBL790131 0.81 PIK3CD (0.56) PIK3CGPI4KAPIK3CDPIK3CAMTOR

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