SCHEMBL9954258

SCHEMBL9954258

Nc1nc2ccc(-c3cncc(-c4noc(=S)[nH]4)c3)cc2c(=O)n1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 16/20 0.47
PIK3CG P48736 13/20 0.47
HCAR1 Q9BXC0 1/20 0.40
MAPK14 Q16539 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL9953702 0.80 PI4KA (0.48) PI4KAPIK3CGHCAR1
SCHEMBL9953028 0.78 PI4KA (0.50) PI4KAPIK3CGHCAR1
SCHEMBL9954049 0.78 PI4KA (0.53) PI4KAPIK3CGHCAR1MAPT
SCHEMBL10289152 0.77 PI4KA (0.48) PI4KAPIK3CGHCAR1
SCHEMBL9955619 0.76 PI4KA (0.56) PI4KAPIK3CG
SCHEMBL9954428 0.76 PI4KA (0.56) PI4KAPIK3CG
SCHEMBL9953679 0.76 PI4KA (0.51) PI4KAPIK3CGHCAR1
SCHEMBL10288780 0.76 PI4KA (0.52) PI4KAPIK3CGHCAR1MAPT
SCHEMBL10288787 0.75 PI4KA (0.50) PI4KAPIK3CGHCAR1ALDH1A1HPGD
SCHEMBL9953943 0.75 PI4KA (0.59) 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