SCHEMBL806992

SCHEMBL806992

COc1ncc(-c2ccc3nc(N)c(-c4ccc(CN5CCOCC5)cc4C)cc3c2)cc1NS(=O)(=O)c1ccc(F)cc1F

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 8/20 0.73
PI4KA P42356 6/20 0.73
PIK3CA P42336 14/20 0.59
PIK3CD O00329 2/20 0.57
PIK3R1 P27986 2/20 0.57
PIK3CB P42338 2/20 0.57
MTOR P42345 2/20 0.57

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
SCHEMBL790993 0.94 PIK3CG (0.67) PIK3CGPI4KAPIK3CAPIK3CDPIK3R1
SCHEMBL789648 0.94 PIK3CA (0.67) PIK3CGPI4KAPIK3CAPIK3CDPIK3R1
SCHEMBL807088 0.93 PIK3CG (0.82) PIK3CGPI4KAPIK3CAPIK3CDPIK3R1
SCHEMBL807176 0.89 PIK3CG (0.87) PIK3CGPI4KAPIK3CAPIK3CDPIK3R1
SCHEMBL790704 0.87 PIK3CG (0.75) PIK3CGPI4KAPIK3CAPIK3CDPIK3R1
SCHEMBL806968 0.87 PIK3CG (0.72) PIK3CGPI4KAPIK3CAPIK3CDPIK3R1
SCHEMBL806759 0.85 PIK3CG (0.88) PIK3CGPI4KAPIK3CAPIK3CDPIK3R1
SCHEMBL807085 0.84 PIK3CG (1.00) PIK3CGPI4KAPIK3CAPIK3CDPIK3R1
SCHEMBL790717 0.84 PIK3CG (0.83) PIK3CGPI4KAPIK3CAPIK3CDPIK3R1
SCHEMBL807081 0.84 PIK3CG (0.74) PIK3CGPI4KAPIK3CAPIK3CDPIK3R1

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