SCHEMBL806801

SCHEMBL806801

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

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 8/20 0.65
PI4KA P42356 7/20 0.65
PIK3CA P42336 13/20 0.59
MTOR P42345 6/20 0.59
HDAC1 Q13547 1/20 0.55
PIK3R1 P27986 5/20 0.54
PIK3CD O00329 1/20 0.52
PIK3CB P42338 1/20 0.52
PRKDC P78527 1/20 0.52
PDE4D Q08499 1/20 0.52
RICTOR Q6R327 1/20 0.52
RPTOR Q8N122 1/20 0.52
PIK3C3 Q8NEB9 1/20 0.52
PIP4K2C Q8TBX8 1/20 0.52
MAPKAP1 Q9BPZ7 1/20 0.52
MLST8 Q9BVC4 1/20 0.52
IRAK3 Q9Y616 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
SCHEMBL807162 0.91 PIK3CG (0.69) PIK3CGPI4KAPIK3CAMTORHDAC1
SCHEMBL12474913 0.91 PIK3CG (0.71) PIK3CGPI4KAPIK3CAMTORHDAC1
SCHEMBL10277100 0.89 PIK3CG (0.66) PIK3CGPI4KAPIK3CAMTORHDAC1
SCHEMBL10277562 0.87 PIK3CG (0.76) PIK3CGPI4KAPIK3CAMTORHDAC1
SCHEMBL789789 0.86 PIK3CG (0.75) PIK3CGPI4KAPIK3CAMTORHDAC1
SCHEMBL807253 0.85 PIK3CG (0.69) PIK3CGPI4KAPIK3CAMTORHDAC1
SCHEMBL807312 0.85 PIK3CG (0.64) PIK3CGPI4KAPIK3CAMTORHDAC1
SCHEMBL10277183 0.84 PIK3CG (0.46) PIK3CGPI4KAPIK3CAMTORHDAC1
SCHEMBL807304 0.83 PIK3CG (0.75) PIK3CGPI4KAPIK3CAMTORHDAC1
SCHEMBL789793 0.83 PIK3CG (0.78) PIK3CGPI4KAPIK3CAMTORHDAC1

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