SCHEMBL790941

SCHEMBL790941

CCS(=O)(=O)c1ccc(-c2cc3cc(-c4cnc(NC(C)C)c(NS(=O)(=O)c5ccccc5)c4)ccc3nc2N)cc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 11/20 0.49
PI4KA P42356 4/20 0.49
PIK3CD O00329 9/20 0.42
PIK3CA P42336 4/20 0.40
PIK3CB P42338 2/20 0.40
AKT1 P31749 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
SCHEMBL791133 0.91 PIK3CG (0.51) PIK3CGPI4KAPIK3CDPIK3CAPIK3CB
SCHEMBL790040 0.86 PIK3CG (0.56) PIK3CGPI4KAPIK3CDPIK3CAPIK3CB
SCHEMBL791172 0.85 PI4KA (0.68) PIK3CGPI4KAPIK3CDPIK3CA
SCHEMBL789502 0.85 PIK3CG (0.59) PIK3CGPI4KAPIK3CDPIK3CAPIK3CB
SCHEMBL790940 0.82 PI4KA (0.41) PIK3CGPI4KAPIK3CAAKT1
SCHEMBL789814 0.80 PIK3CG (0.53) PIK3CGPI4KAPIK3CDPIK3CAPIK3CB
SCHEMBL806962 0.79 PI4KA (0.62) PIK3CGPI4KAPIK3CDPIK3CAPIK3CB
SCHEMBL790028 0.78 PI4KA (0.60) PIK3CGPI4KAPIK3CDPIK3CAPIK3CB
SCHEMBL790926 0.76 PI4KA (0.58) PIK3CGPI4KAPIK3CDPIK3CAPIK3CB
SCHEMBL791544 0.76 PI4KA (0.64) PIK3CGPI4KAPIK3CDPIK3CA

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