SCHEMBL6039729

SCHEMBL6039729

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

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 11/20 0.66
▸ MAPK9 P45984 11/20 0.66
▸ MAPK10 P53779 6/20 0.66
▸ CDK2 P24941 3/20 0.66
▸ JUN P05412 2/20 0.66
▸ IRAK4 Q9NWZ3 3/20 0.61
▸ IGF1R P08069 2/20 0.51
▸ CCNK O75909 1/20 0.46
▸ CDK12 Q9NYV4 1/20 0.46
▸ JAK1 P23458 1/20 0.45
▸ JAK3 P52333 1/20 0.45
▸ GFER P55789 1/20 0.44
▸ GSK3B P49841 2/20 0.44
▸ MAPK14 Q16539 2/20 0.44
▸ NOS2 P35228 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
SCHEMBL6039763 0.88 MAPK8 (0.81) MAPK8MAPK9MAPK10CDK2JUN
SCHEMBL6039679 0.87 MAPK8 (0.63) MAPK8MAPK9MAPK10CDK2JUN
SCHEMBL6039564 0.77 MAPK9 (0.74) MAPK8MAPK9MAPK10CDK2JUN
SCHEMBL21067872 0.76 MAPK10 (1.00) MAPK8MAPK9MAPK10CDK2JUN
SCHEMBL376791 0.75 PIM1 (0.46) MAPK8MAPK9MAPK10CDK2JUN
SCHEMBL183898 0.75 MAPK8 (1.00) MAPK8MAPK9MAPK10CDK2JUN
SCHEMBL7888011 0.75 MAPK8 (1.00) MAPK8MAPK9MAPK10CDK2JUN
SCHEMBL376678 0.75 IRAK4 (0.45) MAPK8MAPK9MAPK10CDK2JUN
SCHEMBL376257 0.75 IRAK4 (0.45) MAPK8MAPK9MAPK10CDK2JUN
SCHEMBL376256 0.75 IRAK4 (0.45) MAPK8MAPK9MAPK10CDK2JUN

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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