SCHEMBL789774

SCHEMBL789774

COc1nc(C)c(Br)cc1NS(=O)(=O)c1ccc(F)cc1F

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 19/20 0.56
▸ MTOR P42345 7/20 0.56
▸ PIK3R1 P27986 3/20 0.56
▸ PIK3CG P48736 3/20 0.52
▸ PIK3CD O00329 2/20 0.52
▸ PIK3CB P42338 2/20 0.52
▸ PI4KA P42356 1/20 0.48

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
SCHEMBL462714 0.80 PIK3CA (0.59) PIK3CAMTORPIK3R1PIK3CGPIK3CD
SCHEMBL29610307 0.80 PIK3CA (0.59) PIK3CAMTORPIK3R1PIK3CGPIK3CD
SCHEMBL30333881 0.80 PIK3CA (0.59) PIK3CAMTORPIK3R1PIK3CGPIK3CD
SCHEMBL806994 0.79 PIK3CG (0.61) PIK3CAMTORPIK3R1PIK3CGPIK3CD
SCHEMBL790005 0.79 PIK3CA (0.49) PIK3CAMTORPIK3R1PIK3CGPIK3CD
SCHEMBL16683557 0.79 PIK3CA (0.63) PIK3CAMTORPIK3R1PIK3CGPIK3CD
SCHEMBL790913 0.77 PIK3C3 (0.59) PIK3CAMTORPIK3R1PIK3CGPIK3CD
SCHEMBL26075510 0.74 PIK3CA (0.58) PIK3CAMTORPIK3R1PIK3CGPIK3CD
SCHEMBL15652862 0.74 PIK3CA (0.57) PIK3CAMTORPIK3R1PIK3CGPIK3CD
SCHEMBL807218 0.73 PIK3CA (0.46) PIK3CAMTORPIK3R1PIK3CGPIK3CD

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 2 patents. 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
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 — — WO disclosed
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