SCHEMBL807046

SCHEMBL807046

CCOc1ncc(-c2ccc3nc(N)c(C(=O)N4CCC5(CC4)OCCO5)cc3c2)cc1NS(=O)(=O)c1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 5/20 0.44
PI4KA P42356 4/20 0.44
TP53 P04637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 8/20 0.42
PIK3CA P42336 2/20 0.42
MTOR P42345 1/20 0.42
GAA P10253 1/20 0.42
PKLR P30613 1/20 0.38
PIK3CD O00329 1/20 0.37
KDM4E B2RXH2 2/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GLA P06280 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL790228 0.93 PI4KA (0.52) PIK3CGPI4KAALDH1A1PIK3CAMTOR
SCHEMBL798151 0.86 PIK3CG (0.56) PIK3CGPI4KAPIK3CAMTORPIK3CD
SCHEMBL807470 0.84 PIK3CG (0.55) PIK3CGPI4KAPIK3CAMTORPIK3CD
SCHEMBL10274897 0.81 PIK3CG (0.54) PIK3CGPI4KAPIK3CAMTORPIK3CD
SCHEMBL791568 0.80 PI4KA (0.43) PIK3CGPI4KATP53HSD17B10ALDH1A1
SCHEMBL789741 0.79 PI4KA (0.46) PIK3CGPI4KATP53HSD17B10ALDH1A1
SCHEMBL790802 0.79 PIK3CG (0.64) PIK3CGPI4KAPIK3CAMTORPIK3CD
SCHEMBL807247 0.77 PIK3CG (0.48) PIK3CGPI4KAPIK3CAMTORPIK3CD
SCHEMBL790751 0.77 PIK3CA (0.58) PIK3CGPI4KAPIK3CAMTORPIK3CD
SCHEMBL790545 0.77 PIK3C3 (0.44) PIK3CGPI4KATP53HSD17B10ALDH1A1

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