SCHEMBL789765

SCHEMBL789765

CCS(=O)(=O)c1ccc(-c2cc3cc(-c4cnc(OC)c(NS(=O)(=O)c5cccc6cccnc56)c4)ccc3nc2N)cc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 10/20 0.61
PIK3CG P48736 9/20 0.61
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
PIK3CA P42336 5/20 0.42
MTOR P42345 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL806963 0.87 PIK3CG (0.60) PI4KAPIK3CGALDH1A1POLBTSHR
SCHEMBL790028 0.87 PI4KA (0.60) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL791544 0.86 PI4KA (0.64) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL791172 0.86 PI4KA (0.68) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL790388 0.85 PIK3CG (0.56) PI4KAPIK3CGALDH1A1POLBTSHR
SCHEMBL806962 0.85 PI4KA (0.62) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL796868 0.84 PIK3CG (0.60) PI4KAPIK3CGPIK3CA
SCHEMBL791170 0.84 PIK3CG (0.82) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL789858 0.83 PI4KA (0.59) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL10274684 0.82 PIK3CG (0.60) PI4KAPIK3CGPIK3CAMTOR

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