SCHEMBL9954562

SCHEMBL9954562

Nc1nc2ccc(-c3cnc(Cl)c(S(=O)(=O)Nc4ccccc4)c3)cc2c(=O)n1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 19/20 0.61
PIK3CG P48736 16/20 0.60
PIK3CD O00329 1/20 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
SCHEMBL9958811 0.93 PI4KA (0.63) PI4KAPIK3CGPIK3CD
SCHEMBL9954271 0.91 PI4KA (0.68) PI4KAPIK3CGPIK3CD
SCHEMBL9954799 0.88 PI4KA (0.58) PI4KAPIK3CG
SCHEMBL10288794 0.87 PI4KA (0.61) PI4KAPIK3CGPIK3CD
SCHEMBL9954059 0.87 PI4KA (0.64) PI4KAPIK3CGPIK3CD
SCHEMBL9952454 0.86 PI4KA (0.55) PI4KAPIK3CG
SCHEMBL9954054 0.86 PI4KA (0.65) PI4KAPIK3CG
SCHEMBL9953283 0.85 PI4KA (0.61) PI4KAPIK3CGPIK3CD
SCHEMBL9953791 0.85 PI4KA (0.74) PI4KAPIK3CG
SCHEMBL9954130 0.84 PI4KA (0.62) PI4KAPIK3CGPIK3CD

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