SCHEMBL9954428

SCHEMBL9954428

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

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 17/20 0.56
PIK3CG P48736 15/20 0.56
PIK3CD O00329 2/20 0.44
GRM5 P41594 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PI4KB Q9UBF8 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
SCHEMBL9953943 0.90 PI4KA (0.59) PI4KAPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL9954217 0.88 PI4KA (0.56) PI4KAPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL10288740 0.88 PI4KA (0.53) PI4KAPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL9953643 0.84 PI4KA (0.55) PI4KAPIK3CG
SCHEMBL9954049 0.83 PI4KA (0.53) PI4KAPIK3CG
SCHEMBL9955619 0.83 PI4KA (0.56) PI4KAPIK3CG
SCHEMBL9954365 0.81 PI4KA (0.70) PI4KAPIK3CGPIK3CA
SCHEMBL9953679 0.80 PI4KA (0.51) PI4KAPIK3CG
SCHEMBL10288780 0.80 PI4KA (0.52) PI4KAPIK3CG
SCHEMBL10288787 0.80 PI4KA (0.50) 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 1 patent. 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