SCHEMBL790832

SCHEMBL790832

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

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 10/20 0.51
PI4KA P42356 6/20 0.51
PIK3CA P42336 10/20 0.45
PIK3CD O00329 6/20 0.45
PIK3CB P42338 4/20 0.45
MTOR P42345 3/20 0.44
PIK3R1 P27986 1/20 0.41
EGFR P00533 1/20 0.41

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
SCHEMBL791562 0.85 PIK3CG (0.57) PIK3CGPI4KAPIK3CAPIK3CDPIK3CB
SCHEMBL790102 0.81 PIK3CG (0.66) PIK3CGPI4KAPIK3CAPIK3CDPIK3CB
SCHEMBL807092 0.81 PI4KA (0.55) PIK3CGPI4KAPIK3CAPIK3CDPIK3CB
SCHEMBL789337 0.80 PIK3CG (0.77) PIK3CGPI4KAPIK3CAPIK3CDPIK3CB
SCHEMBL790869 0.80 PI4KA (0.62) PIK3CGPI4KAPIK3CAPIK3CDMTOR
SCHEMBL790763 0.79 PIK3CG (0.62) PIK3CGPI4KAPIK3CAPIK3CDPIK3CB
SCHEMBL790186 0.79 PI4KA (0.53) PIK3CGPI4KAPIK3CAPIK3CDPIK3CB
SCHEMBL790388 0.77 PIK3CG (0.56) PIK3CGPI4KAPIK3CAMTOR
SCHEMBL10277973 0.75 PI4KA (0.49) PIK3CGPI4KAPIK3CAPIK3CDMTOR
SCHEMBL789716 0.74 CYP17A1 (0.42) PIK3CGPIK3CAPIK3CDPIK3CBMTOR

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