SCHEMBL790127

SCHEMBL790127

COc1ccc(CNc2nc3cc(Cl)c(-c4cnc(OC)c(NS(=O)(=O)c5ccc(F)cc5F)c4)cc3cc2-c2ccc(N3CCOCC3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 7/20 0.62
PI4KA P42356 3/20 0.62
PIK3CA P42336 17/20 0.53
PIK3R1 P27986 4/20 0.53
PIK3CD O00329 4/20 0.50
PIK3CB P42338 4/20 0.50
MTOR P42345 3/20 0.47

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
SCHEMBL807259 0.86 PIK3CG (0.83) PIK3CGPI4KAPIK3CAPIK3R1PIK3CD
SCHEMBL807260 0.85 PIK3CA (0.58) PIK3CGPI4KAPIK3CAPIK3R1PIK3CD
SCHEMBL10277636 0.79 PIK3CG (0.84) PIK3CGPI4KAPIK3CAPIK3R1PIK3CD
SCHEMBL807249 0.77 PIK3CG (0.86) PIK3CGPI4KAPIK3CAPIK3R1PIK3CD
SCHEMBL807085 0.77 PIK3CG (1.00) PIK3CGPI4KAPIK3CAPIK3R1PIK3CD
SCHEMBL790675 0.76 PIK3CA (0.69) PIK3CGPI4KAPIK3CAPIK3R1PIK3CD
SCHEMBL14247434 0.74 PIK3CG (0.70) PIK3CGPI4KAPIK3CAPIK3R1PIK3CD
SCHEMBL789471 0.74 PIK3CG (0.81) PIK3CGPI4KAPIK3CAPIK3R1PIK3CD
SCHEMBL807088 0.74 PIK3CG (0.82) PIK3CGPI4KAPIK3CAPIK3R1PIK3CD
SCHEMBL14315224 0.73 PIK3CG (0.75) PIK3CGPI4KAPIK3CAPIK3R1PIK3CD

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