SCHEMBL807170

SCHEMBL807170

COc1ncc(-c2ccc3nc(N)c(-c4ccc(C(=O)N5CCC(C(=O)O)CC5)cc4)cc3c2)cc1NS(=O)(=O)c1ccc(F)cc1F

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 8/20 0.71
PI4KA P42356 7/20 0.71
PIK3CA P42336 13/20 0.56
MTOR P42345 9/20 0.56
PIK3R1 P27986 3/20 0.53
PIK3CD O00329 1/20 0.51
PIK3CB P42338 1/20 0.51

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
SCHEMBL790715 0.92 PIK3CG (0.75) PIK3CGPI4KAPIK3CAMTORPIK3R1
SCHEMBL807169 0.91 PIK3CG (0.74) PIK3CGPI4KAPIK3CAMTORPIK3R1
SCHEMBL10277173 0.91 PIK3CG (0.73) PIK3CGPI4KAPIK3CAMTORPIK3R1
SCHEMBL789413 0.90 PIK3CG (0.72) PIK3CGPI4KAPIK3CAMTORPIK3R1
SCHEMBL791064 0.90 PIK3CG (0.81) PIK3CGPI4KAPIK3CAMTORPIK3R1
SCHEMBL807243 0.86 PI4KA (0.68) PIK3CGPI4KAPIK3CAMTORPIK3R1
SCHEMBL807154 0.85 PIK3CG (0.82) PIK3CGPI4KAPIK3CAMTORPIK3R1
SCHEMBL789386 0.85 PIK3CG (0.82) PIK3CGPI4KAPIK3CAMTORPIK3R1
SCHEMBL10277711 0.84 PIK3CA (0.65) PIK3CGPI4KAPIK3CAMTORPIK3R1
SCHEMBL807082 0.84 PIK3CG (0.71) 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