SCHEMBL790763

SCHEMBL790763

COc1ncc(-c2ccc3nc(N)c(Br)cc3c2)cc1NS(=O)(=O)c1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 8/20 0.62
PI4KA P42356 8/20 0.62
PIK3CA P42336 6/20 0.59
MTOR P42345 5/20 0.59
PIK3CD O00329 3/20 0.50
PIK3CB P42338 1/20 0.48
PTGES2 Q9H7Z7 1/20 0.46
SLC40A1 Q9NP59 1/20 0.46

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
SCHEMBL790102 0.92 PIK3CG (0.66) PIK3CGPI4KAPIK3CAMTORPIK3CD
SCHEMBL807092 0.88 PI4KA (0.55) PIK3CGPI4KAPIK3CAMTORPIK3CD
SCHEMBL807155 0.88 PIK3CG (0.62) PIK3CGPI4KAPIK3CAMTORPIK3CD
SCHEMBL789833 0.87 PIK3CG (0.61) PIK3CGPI4KAPIK3CAMTORPIK3CD
Lithium SCHEMBL789835 0.87 PIK3CG (0.61) PIK3CGPI4KAPIK3CAMTORPIK3CD
Lithium Ion SCHEMBL789834 0.86 PI4KA (0.58) PIK3CGPI4KAPIK3CAMTORPIK3CD
SCHEMBL790186 0.86 PI4KA (0.53) PIK3CGPI4KAPIK3CAMTORPIK3CD
SCHEMBL790028 0.85 PI4KA (0.60) PIK3CGPI4KAPIK3CAMTORPIK3CD
SCHEMBL790388 0.84 PIK3CG (0.56) PIK3CGPI4KAPIK3CAMTORSLC40A1
SCHEMBL790869 0.84 PI4KA (0.62) PIK3CGPI4KAPIK3CAMTORPIK3CD

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