SCHEMBL6039679

SCHEMBL6039679

CNCC(=O)N1CCCC(Nc2nccc(-c3cnc4ccccn34)n2)C1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 6/20 0.63
▸ MAPK9 P45984 6/20 0.63
▸ IRAK4 Q9NWZ3 6/20 0.63
▸ CDK2 P24941 4/20 0.63
▸ MAPK10 P53779 3/20 0.63
▸ JUN P05412 2/20 0.63
▸ IGF1R P08069 5/20 0.51
▸ KCNH2 Q12809 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ CCNK O75909 1/20 0.43
▸ CDK12 Q9NYV4 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43

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
SCHEMBL6039729 0.87 MAPK8 (0.66) MAPK8MAPK9IRAK4CDK2MAPK10
SCHEMBL6039763 0.87 MAPK8 (0.81) MAPK8MAPK9IRAK4CDK2MAPK10
SCHEMBL6039564 0.79 MAPK9 (0.74) MAPK8MAPK9IRAK4CDK2MAPK10
SCHEMBL21067872 0.78 MAPK10 (1.00) MAPK8MAPK9IRAK4CDK2MAPK10
SCHEMBL183898 0.75 MAPK8 (1.00) MAPK8MAPK9IRAK4CDK2MAPK10
SCHEMBL7888011 0.75 MAPK8 (1.00) MAPK8MAPK9IRAK4CDK2MAPK10
SCHEMBL6039801 0.75 IRAK4 (0.71) MAPK8MAPK9IRAK4CDK2MAPK10
SCHEMBL6039787 0.74 MAPK8 (0.70) MAPK8MAPK9IRAK4CDK2MAPK10
SCHEMBL2040116 0.74 EIF2AK4 (0.47) —
SCHEMBL2040117 0.74 EIF2AK4 (0.47) —

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-2006038001-A1 AMINOPYRIMIDINE DERIVATIVES AS JNK INHIBITORS CELLTECH R & D LIMITED (GB) 2006-04-13 — — WO disclosed
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