SCHEMBL806963

SCHEMBL806963

COc1ncc(-c2ccc3nc(N)c(-c4ccc(S(=O)O)cc4)cc3c2)cc1NS(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 10/20 0.60
PI4KA P42356 8/20 0.60
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.42
PIK3CA P42336 7/20 0.42
MTOR P42345 5/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PIK3CD O00329 1/20 0.41
PIK3R1 P27986 1/20 0.41
PIK3CB P42338 1/20 0.41
PRKDC P78527 1/20 0.41
PDE4D Q08499 1/20 0.41
RICTOR Q6R327 1/20 0.41
RPTOR Q8N122 1/20 0.41
PIK3C3 Q8NEB9 1/20 0.41
PIP4K2C Q8TBX8 1/20 0.41
MAPKAP1 Q9BPZ7 1/20 0.41
MLST8 Q9BVC4 1/20 0.41

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 0.87 PI4KA (0.61) PIK3CGPI4KAALDH1A1POLBTSHR
SCHEMBL790388 0.84 PIK3CG (0.56) PIK3CGPI4KAALDH1A1POLBTSHR
SCHEMBL10274844 0.80 PIK3CG (0.54) PIK3CGPI4KAPIK3CAMTORPIK3CD
SCHEMBL789570 0.75 PIK3CG (1.00) PIK3CGPI4KAPIK3CAMTORPIK3CD
SCHEMBL790028 0.74 PI4KA (0.60) PIK3CGPI4KAPIK3CAMTORPIK3CD
SCHEMBL807206 0.73 PIK3CG (0.86) PIK3CGPI4KAPIK3CAMTORPIK3CD
SCHEMBL791544 0.73 PI4KA (0.64) PIK3CGPI4KAPIK3CAMTORPIK3CD
SCHEMBL9955053 0.73 PI4KA (0.79) PIK3CGPI4KAPIK3CAMTOR
SCHEMBL790386 0.73 PIK3CG (0.82) PIK3CGPI4KAPIK3CAMTORPIK3CD
SCHEMBL807154 0.73 PIK3CG (0.82) 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 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