SCHEMBL10277973

SCHEMBL10277973

COc1ncc(-c2ccc3nc(N)c(Br)cc3c2)cc1NS(=O)(=O)c1ccc2c(c1)OC(C)O2

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 8/20 0.49
PIK3CG P48736 7/20 0.49
PIK3CD O00329 9/20 0.43
MTOR P42345 6/20 0.43
PIK3R1 P27986 4/20 0.43
PIK3CA P42336 2/20 0.42

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
SCHEMBL807092 0.85 PI4KA (0.55) PI4KAPIK3CGPIK3CDMTORPIK3CA
SCHEMBL790186 0.85 PI4KA (0.53) PI4KAPIK3CGPIK3CDMTORPIK3CA
SCHEMBL790102 0.84 PIK3CG (0.66) PI4KAPIK3CGPIK3CDMTORPIK3R1
SCHEMBL790869 0.82 PI4KA (0.62) PI4KAPIK3CGPIK3CDMTORPIK3CA
SCHEMBL790763 0.81 PIK3CG (0.62) PI4KAPIK3CGPIK3CDMTORPIK3CA
SCHEMBL789337 0.77 PIK3CG (0.77) PI4KAPIK3CGPIK3CDMTORPIK3R1
SCHEMBL790388 0.75 PIK3CG (0.56) PI4KAPIK3CGMTORPIK3CA
SCHEMBL790832 0.75 PIK3CG (0.51) PI4KAPIK3CGPIK3CDMTORPIK3R1
SCHEMBL806962 0.72 PI4KA (0.62) PI4KAPIK3CGPIK3CDMTORPIK3R1
SCHEMBL789858 0.71 PI4KA (0.59) PI4KAPIK3CGPIK3CDMTORPIK3CA

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