SCHEMBL9954745

SCHEMBL9954745

Cc1ncc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)cc1C(=O)Nc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 14/20 0.56
PIK3CG P48736 11/20 0.56
MCL1 Q07820 1/20 0.43
PRKCI P41743 1/20 0.42
IKBKE Q14164 1/20 0.42
TBK1 Q9UHD2 1/20 0.42
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41

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
SCHEMBL9954462 0.90 PI4KA (0.56) PI4KAPIK3CGPRKCIIKBKETBK1
SCHEMBL9953530 0.88 PI4KA (0.68) PI4KAPIK3CG
SCHEMBL10288762 0.86 PI4KA (0.54) PI4KAPIK3CG
SCHEMBL10289348 0.83 PI4KA (0.66) PI4KAPIK3CGMCL1
SCHEMBL10288880 0.82 PI4KA (0.64) PI4KAPIK3CGMCL1
SCHEMBL9954448 0.81 PI4KA (0.63) PI4KAPIK3CGIKBKETBK1
SCHEMBL9954563 0.81 PI4KA (0.51) PI4KAPIK3CG
Lithium SCHEMBL9955796 0.80 PI4KA (0.57) PI4KAPIK3CGPRKCI
SCHEMBL9955784 0.80 PI4KA (0.57) PI4KAPIK3CGPRKCI
SCHEMBL9954007 0.79 PI4KA (0.71) 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