SCHEMBL791438

SCHEMBL791438

COc1ncc(-c2ccc3ncc(C(=O)O)cc3c2)cc1NS(=O)(=O)c1ccc(F)cc1F

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.70
HDAC1 Q13547 1/20 0.70
MTOR P42345 7/20 0.68
PIK3CG P48736 6/20 0.67
PI4KA P42356 5/20 0.67
PIK3R1 P27986 6/20 0.65
PIK3CD O00329 1/20 0.62
PIK3CB P42338 1/20 0.62
PRKDC P78527 1/20 0.62
PDE4D Q08499 1/20 0.62
RICTOR Q6R327 1/20 0.62
RPTOR Q8N122 1/20 0.62
PIK3C3 Q8NEB9 1/20 0.62
PIP4K2C Q8TBX8 1/20 0.62
MAPKAP1 Q9BPZ7 1/20 0.62
MLST8 Q9BVC4 1/20 0.62
IRAK3 Q9Y616 1/20 0.62

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
SCHEMBL789793 0.86 PIK3CG (0.78) PIK3CAHDAC1MTORPIK3CGPI4KA
SCHEMBL789803 0.85 PIK3CG (0.77) PIK3CAHDAC1MTORPIK3CGPI4KA
Lithium SCHEMBL789805 0.85 PIK3CG (0.77) PIK3CAHDAC1MTORPIK3CGPI4KA
SCHEMBL790888 0.85 PIK3CA (0.59) PIK3CAHDAC1MTORPIK3CGPI4KA
SCHEMBL790378 0.84 PIK3CG (0.79) PIK3CAHDAC1MTORPIK3CGPI4KA
SCHEMBL789815 0.83 PIK3CG (0.74) PIK3CAHDAC1MTORPIK3CGPI4KA
SCHEMBL807304 0.83 PIK3CG (0.75) PIK3CAHDAC1MTORPIK3CGPI4KA
SCHEMBL1300553 0.82 PIK3CA (0.82) PIK3CAMTORPIK3CGPIK3R1PIK3CD
SCHEMBL790598 0.82 PIK3CG (0.73) PIK3CAHDAC1MTORPIK3CGPI4KA
SCHEMBL38658657 0.82 PIK3CA (0.67) PIK3CAHDAC1MTORPIK3CGPI4KA

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