SCHEMBL790388

SCHEMBL790388

COc1ncc(-c2ccc3nc(N)c(Br)cc3c2)cc1NS(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 9/20 0.56
PI4KA P42356 9/20 0.56
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
TSHR P16473 1/20 0.47
PIK3CA P42336 3/20 0.47
MTOR P42345 3/20 0.47
SLC40A1 Q9NP59 1/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL789765 0.85 PI4KA (0.61) PIK3CGPI4KAMEN1KMT2AALDH1A1
SCHEMBL806963 0.84 PIK3CG (0.60) PIK3CGPI4KAMEN1KMT2AALDH1A1
SCHEMBL790763 0.84 PIK3CG (0.62) PIK3CGPI4KAPIK3CAMTORSLC40A1
SCHEMBL790102 0.83 PIK3CG (0.66) PIK3CGPI4KAPIK3CAMTOR
SCHEMBL789337 0.82 PIK3CG (0.77) PIK3CGPI4KAPIK3CAMTOR
SCHEMBL807092 0.82 PI4KA (0.55) PIK3CGPI4KAPIK3CAMTOR
SCHEMBL790186 0.79 PI4KA (0.53) PIK3CGPI4KAPIK3CAMTOR
SCHEMBL790895 0.79 ALDH1A1 (0.61) MEN1KMT2AALDH1A1POLBTSHR
SCHEMBL790869 0.78 PI4KA (0.62) PIK3CGPI4KAPIK3CAMTOR
SCHEMBL9955053 0.78 PI4KA (0.79) PIK3CGPI4KAPIK3CAMTOR

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