SCHEMBL9954015

SCHEMBL9954015

CC(C)(C)NC(=O)c1cncc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 15/20 0.51
PIK3CG P48736 12/20 0.51
IRAK4 Q9NWZ3 1/20 0.45
DYRK1A Q13627 2/20 0.41
WNT1 P04628 1/20 0.41
JAK2 O60674 1/20 0.40
XDH P47989 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
SCHEMBL9959815 0.86 XDH (0.56) PI4KAPIK3CGDYRK1AWNT1XDH
SCHEMBL9954515 0.86 PI4KA (0.57) PI4KAPIK3CGIRAK4
SCHEMBL9953679 0.86 PI4KA (0.51) PI4KAPIK3CG
SCHEMBL10288698 0.86 PI4KA (0.59) PI4KAPIK3CGXDH
SCHEMBL10289054 0.84 PI4KA (0.51) PI4KAPIK3CGDYRK1AXDH
SCHEMBL9953388 0.84 PI4KA (0.56) PI4KAPIK3CG
SCHEMBL10289151 0.81 PI4KA (0.67) PI4KAPIK3CG
SCHEMBL10289377 0.81 PI4KA (0.49) PI4KAPIK3CG
SCHEMBL9954693 0.79 PIM1 (0.46) PI4KAPIK3CGJAK2
SCHEMBL9954049 0.78 PI4KA (0.53) 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