SCHEMBL9953643

SCHEMBL9953643

Nc1nc2ccc(-c3cncc(S(=O)(=O)NC4CC4)c3)cc2c(=O)n1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 16/20 0.55
PIK3CG P48736 13/20 0.55
PIK3C3 Q8NEB9 2/20 0.43
DCK P27707 1/20 0.39
BRD4 O60885 1/20 0.39

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
SCHEMBL9954675 0.84 PI4KA (0.61) PI4KAPIK3CG
SCHEMBL9954428 0.84 PI4KA (0.56) PI4KAPIK3CG
SCHEMBL9953943 0.83 PI4KA (0.59) PI4KAPIK3CG
SCHEMBL9954217 0.81 PI4KA (0.56) PI4KAPIK3CGPIK3C3
SCHEMBL10288740 0.81 PI4KA (0.53) PI4KAPIK3CG
SCHEMBL9954290 0.81 PI4KA (0.71) PI4KAPIK3CG
SCHEMBL9954365 0.80 PI4KA (0.70) PI4KAPIK3CG
SCHEMBL9954715 0.78 PI4KA (0.69) PI4KAPIK3CG
SCHEMBL9954408 0.78 PI4KA (0.69) PI4KAPIK3CG
SCHEMBL10289377 0.78 PI4KA (0.49) PI4KAPIK3CG

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-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed