SCHEMBL789984

SCHEMBL789984

CCc1ccccc1-c1cc2cc(-c3cnc(OC)c(C4(F)C=C(F)C=CC4S(N)(=O)=O)c3)ccc2nc1N

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 13/20 0.47
PIK3CG P48736 13/20 0.47
PIK3CA P42336 4/20 0.33
ALOX5AP P20292 2/20 0.33
FEN1 P39748 2/20 0.33
MTOR P42345 1/20 0.33
PIK3R1 P27986 2/20 0.32
PTGES2 Q9H7Z7 1/20 0.31

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
SCHEMBL791169 0.88 PIK3CG (0.47) PI4KAPIK3CGPIK3CAMTORPIK3R1
SCHEMBL790455 0.81 PIK3CA (0.41) PI4KAPIK3CGPIK3CAPIK3R1
SCHEMBL789986 0.75 PI4KA (0.53) PI4KAPIK3CGPIK3CAALOX5APFEN1
SCHEMBL789985 0.75 PIK3CG (0.81) PI4KAPIK3CGPIK3CAMTORPIK3R1
SCHEMBL789700 0.70 PIK3CG (0.45) PI4KAPIK3CGPIK3CAMTORPIK3R1
SCHEMBL807190 0.69 PIK3CG (0.79) PI4KAPIK3CGPIK3CAMTORPIK3R1
SCHEMBL789481 0.69 PI4KA (0.45) PI4KAPIK3CG
SCHEMBL789602 0.68 PI4KA (0.41) PI4KAPIK3CGMTOR
SCHEMBL791498 0.66 PIK3CG (0.85) PI4KAPIK3CGPIK3CAMTORPIK3R1
SCHEMBL806976 0.65 PIK3CG (0.80) 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