SCHEMBL807112

SCHEMBL807112

COc1ncc(-c2ccc3nc(N)c(-c4ccccc4)c(C#N)c3c2)cc1NS(=O)(=O)c1ccc(C)cc1F

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 10/20 0.62
PIK3CG P48736 9/20 0.62
PIK3CA P42336 10/20 0.60
MTOR P42345 5/20 0.60
PIK3R1 P27986 2/20 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
SCHEMBL790128 0.94 PIK3CG (0.70) PI4KAPIK3CGPIK3CAMTORPIK3R1
SCHEMBL10277872 0.87 PIK3CG (0.60) PI4KAPIK3CGPIK3CAMTORPIK3R1
SCHEMBL791563 0.84 PIK3CG (0.79) PI4KAPIK3CGPIK3CAMTORPIK3R1
SCHEMBL789701 0.83 PIK3CG (0.73) PI4KAPIK3CGPIK3CAMTORPIK3R1
SCHEMBL807042 0.83 PI4KA (0.74) PI4KAPIK3CGPIK3CAMTORPIK3R1
SCHEMBL807277 0.82 PIK3CA (0.60) PI4KAPIK3CGPIK3CAMTORPIK3R1
SCHEMBL807468 0.81 PIK3CG (0.71) PI4KAPIK3CGPIK3CAMTORPIK3R1
SCHEMBL807274 0.81 PIK3CG (0.70) PI4KAPIK3CGPIK3CAMTORPIK3R1
SCHEMBL807458 0.81 PIK3CG (0.70) PI4KAPIK3CGPIK3CAMTORPIK3R1
SCHEMBL806732 0.79 PI4KA (0.68) PI4KAPIK3CGPIK3CAMTORPIK3R1

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