SCHEMBL6039892

SCHEMBL6039892

CC(C(N)=O)(c1ccccc1)N1CCC(Nc2nccc(-c3cnc4ccccn34)n2)CC1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPK9 P45984 12/20 0.63
▸ MAPK8 P45983 9/20 0.63
▸ CDK2 P24941 4/20 0.63
▸ MAPK10 P53779 3/20 0.63
▸ IRAK4 Q9NWZ3 3/20 0.63
▸ JUN P05412 2/20 0.63
▸ IGF1R P08069 3/20 0.49
▸ DYRK1A Q13627 1/20 0.44
▸ 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
SCHEMBL21067872 0.78 MAPK10 (1.00) MAPK9MAPK8CDK2MAPK10IRAK4
SCHEMBL183898 0.77 MAPK8 (1.00) MAPK9MAPK8CDK2MAPK10IRAK4
SCHEMBL7888011 0.77 MAPK8 (1.00) MAPK9MAPK8CDK2MAPK10IRAK4
SCHEMBL6039564 0.77 MAPK9 (0.74) MAPK9MAPK8CDK2MAPK10IRAK4
SCHEMBL6039880 0.77 IRAK4 (0.68) MAPK9MAPK8CDK2MAPK10IRAK4
SCHEMBL6039664 0.76 MAPK9 (0.72) MAPK9MAPK8CDK2MAPK10IRAK4
SCHEMBL6039787 0.76 MAPK8 (0.70) MAPK9MAPK8CDK2MAPK10IRAK4
SCHEMBL6039460 0.75 MAPK8 (0.69) MAPK9MAPK8CDK2MAPK10IRAK4
SCHEMBL18427775 0.75 IRAK4 (1.00) MAPK9MAPK8CDK2MAPK10IRAK4
SCHEMBL183113 0.75 MAPK9 (1.00) MAPK9MAPK8CDK2MAPK10IRAK4

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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