SCHEMBL807312

SCHEMBL807312

COc1ncc(-c2ccc3nc(N)c(CNC(=O)C4CCOCC4)cc3c2)cc1NS(=O)(=O)c1ccc(F)cc1F

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 8/20 0.64
PI4KA P42356 4/20 0.64
PIK3CA P42336 16/20 0.56
PIK3R1 P27986 5/20 0.56
MTOR P42345 7/20 0.55
PIK3CD O00329 4/20 0.54
PIK3CB P42338 4/20 0.54
HDAC1 Q13547 1/20 0.52

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
SCHEMBL807253 0.88 PIK3CG (0.69) PIK3CGPI4KAPIK3CAPIK3R1MTOR
SCHEMBL12474913 0.87 PIK3CG (0.71) PIK3CGPI4KAPIK3CAPIK3R1MTOR
SCHEMBL807162 0.87 PIK3CG (0.69) PIK3CGPI4KAPIK3CAPIK3R1MTOR
SCHEMBL10277100 0.85 PIK3CG (0.66) PIK3CGPI4KAPIK3CAPIK3R1MTOR
SCHEMBL806801 0.85 PIK3CG (0.65) PIK3CGPI4KAPIK3CAPIK3R1MTOR
SCHEMBL807483 0.84 PIK3CG (0.71) PIK3CGPI4KAPIK3CAPIK3R1MTOR
SCHEMBL790704 0.83 PIK3CG (0.75) PIK3CGPI4KAPIK3CAPIK3R1MTOR
SCHEMBL10277562 0.83 PIK3CG (0.76) PIK3CGPI4KAPIK3CAPIK3R1MTOR
SCHEMBL789789 0.83 PIK3CG (0.75) PIK3CGPI4KAPIK3CAPIK3R1MTOR
SCHEMBL807138 0.83 PIK3CG (0.69) PIK3CGPI4KAPIK3CAPIK3R1MTOR

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