SCHEMBL13069060

SCHEMBL13069060

CCNc1nc(N)c(/N=N/c2c(C#N)cnn2-c2nc(O)nc(O)n2)c(N)n1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
XDH P47989 1/20 0.32
ALOX15 P16050 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL10101862 0.78 MAPK8 (0.40) XDHCDK2ADORA2AADORA1
SCHEMBL10101894 0.72 PTGS1 (0.32)
SCHEMBL10102099 0.71 CDK2 (0.35) XDHCDK2ADORA2AADORA1
SCHEMBL10101838 0.71 CDK2 (0.35) XDHCDK2ADORA2AADORA1
SCHEMBL12945841 0.69 ALDH1A1 (0.32)
SCHEMBL4742267 0.69 MEN1 (0.33)
SCHEMBL12062687 0.69
SCHEMBL10052057 0.68 SMN1; SMN2 (0.48) XDH
SCHEMBL14191656 0.68 GAA (0.38) XDH
SCHEMBL12945658 0.67 ALDH1A1 (0.32)

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
EP-2253674-A1 AZO PIGMENT, PIGMENT DISPERSION, COLORING COMPOSITION, AND INKJET RECORDING INK FUJIFILM Corporation (JP) 2010-11-24 EP disclosed