SCHEMBL789986

SCHEMBL789986

CCc1ccccc1-c1cc2cc(-c3cnc(OC)c(-c4c(F)ccc(S(N)(=O)=O)c4F)c3)ccc2nc1N

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 11/20 0.53
PIK3CG P48736 11/20 0.53
PTGES2 Q9H7Z7 1/20 0.38
PIK3CA P42336 4/20 0.38
MTOR P42345 2/20 0.38
PIK3R1 P27986 2/20 0.37
ALOX5AP P20292 3/20 0.36
FEN1 P39748 3/20 0.36
BRAF P15056 1/20 0.34

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
SCHEMBL791171 0.87 PIK3CG (0.54) PI4KAPIK3CGPTGES2PIK3CAMTOR
SCHEMBL789985 0.81 PIK3CG (0.81) PI4KAPIK3CGPIK3CAMTORPIK3R1
SCHEMBL790456 0.79 PIK3CA (0.46) PI4KAPIK3CGPIK3CAMTORPIK3R1
SCHEMBL789984 0.75 PI4KA (0.47) PI4KAPIK3CGPTGES2PIK3CAMTOR
SCHEMBL807190 0.75 PIK3CG (0.79) PI4KAPIK3CGPIK3CAMTORPIK3R1
SCHEMBL791498 0.71 PIK3CG (0.85) PI4KAPIK3CGPIK3CAMTORPIK3R1
SCHEMBL789570 0.69 PIK3CG (1.00) PI4KAPIK3CGPIK3CAMTORPIK3R1
SCHEMBL789702 0.69 PIK3CG (0.52) PI4KAPIK3CGPIK3CAMTORPIK3R1
SCHEMBL791281 0.69 PIK3CG (0.80) PI4KAPIK3CGPIK3CAMTORPIK3R1
SCHEMBL790027 0.69 PI4KA (0.46) PI4KAPIK3CGPIK3CAALOX5APFEN1

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