SCHEMBL807254

SCHEMBL807254

COc1ncc(-c2ccc3nc(N)c(C(=O)N4CC[C@H](O)C4)cc3c2)cc1NS(=O)(=O)c1ccc(F)cc1F

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 5/20 0.63
PI4KA P42356 4/20 0.63
PIK3CA P42336 16/20 0.62
MTOR P42345 9/20 0.62
PIK3R1 P27986 5/20 0.57
PIK3CD O00329 1/20 0.54
PIK3CB P42338 1/20 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
SCHEMBL10277711 0.96 PIK3CA (0.65) PIK3CGPI4KAPIK3CAMTORPIK3R1
SCHEMBL807177 0.91 PIK3CG (0.65) PIK3CGPI4KAPIK3CAMTORPIK3R1
SCHEMBL807240 0.89 PIK3CG (0.67) PIK3CGPI4KAPIK3CAMTORPIK3R1
SCHEMBL789777 0.89 PIK3CG (0.66) PIK3CGPI4KAPIK3CAMTORPIK3R1
SCHEMBL807244 0.89 PIK3CG (0.61) PIK3CGPI4KAPIK3CAMTORPIK3R1
SCHEMBL807137 0.88 PIK3CG (0.75) PIK3CGPI4KAPIK3CAMTORPIK3R1
SCHEMBL791392 0.87 PIK3CG (0.65) PIK3CGPI4KAPIK3CAMTORPIK3R1
SCHEMBL10277819 0.87 PIK3CG (0.65) PIK3CGPI4KAPIK3CAMTORPIK3R1
SCHEMBL791393 0.87 PIK3CG (0.65) PIK3CGPI4KAPIK3CAMTORPIK3R1
SCHEMBL12474860 0.86 PIK3CG (0.60) PIK3CGPI4KAPIK3CAMTORPIK3R1

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