SCHEMBL9954462

SCHEMBL9954462

Nc1ncc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)cc1C(=O)Nc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 11/20 0.56
PIK3CG P48736 8/20 0.56
PRKCI P41743 2/20 0.53
CCNC P24863 1/20 0.51
CDK8 P49336 1/20 0.51
TBK1 Q9UHD2 5/20 0.49
IKBKE Q14164 3/20 0.49
MAP4K3 Q8IVH8 1/20 0.47

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
SCHEMBL9954745 0.90 PI4KA (0.56) PI4KAPIK3CGPRKCICCNCCDK8
SCHEMBL9953530 0.88 PI4KA (0.68) PI4KAPIK3CG
Lithium SCHEMBL9955796 0.88 PI4KA (0.57) PI4KAPIK3CGPRKCI
SCHEMBL9955784 0.88 PI4KA (0.57) PI4KAPIK3CGPRKCI
SCHEMBL9953388 0.87 PI4KA (0.56) PI4KAPIK3CGPRKCI
SCHEMBL9954448 0.86 PI4KA (0.63) PI4KAPIK3CGTBK1IKBKE
Lithium Ion SCHEMBL9955788 0.86 PI4KA (0.55) PI4KAPIK3CGPRKCI
SCHEMBL10288673 0.84 PI4KA (0.56) PI4KAPIK3CG
SCHEMBL10289348 0.82 PI4KA (0.66) PI4KAPIK3CG
SCHEMBL9954563 0.82 PI4KA (0.51) 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