SCHEMBL790228

SCHEMBL790228

COc1ncc(-c2ccc3nc(N)c(C(=O)N4CCC5(CC4)OCCO5)cc3c2)cc1NS(=O)(=O)c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 7/20 0.52
PIK3CG P48736 6/20 0.52
PIK3CA P42336 6/20 0.49
MTOR P42345 4/20 0.49
PIK3CD O00329 3/20 0.44
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.40
PIK3R1 P27986 1/20 0.40

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
SCHEMBL807046 0.93 PIK3CG (0.44) PI4KAPIK3CGPIK3CAMTORPIK3CD
SCHEMBL807470 0.91 PIK3CG (0.55) PI4KAPIK3CGPIK3CAMTORPIK3CD
SCHEMBL10274897 0.87 PIK3CG (0.54) PI4KAPIK3CGPIK3CAMTORPIK3CD
SCHEMBL790802 0.86 PIK3CG (0.64) PI4KAPIK3CGPIK3CAMTORPIK3CD
SCHEMBL789741 0.84 PI4KA (0.46) PI4KAPIK3CGPIK3CAMTORALDH1A1
SCHEMBL807247 0.83 PIK3CG (0.48) PI4KAPIK3CGPIK3CAMTORPIK3CD
SCHEMBL791568 0.83 PI4KA (0.43) PI4KAPIK3CGPIK3CAMTORALDH1A1
SCHEMBL10277708 0.83 PI4KA (0.51) PI4KAPIK3CGPIK3CAMTORPIK3CD
SCHEMBL807155 0.83 PIK3CG (0.62) PI4KAPIK3CGPIK3CAMTORPIK3CD
SCHEMBL806791 0.82 PI4KA (0.43) PI4KAPIK3CGPIK3CAMTORALDH1A1

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