SCHEMBL6039460

SCHEMBL6039460

O=C(c1ccoc1)N1CCC(Nc2nccc(-c3cnc4ccccn34)n2)CC1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 9/20 0.69
▸ MAPK9 P45984 9/20 0.69
▸ CDK2 P24941 5/20 0.69
▸ MAPK10 P53779 3/20 0.69
▸ JUN P05412 2/20 0.69
▸ IRAK4 Q9NWZ3 6/20 0.64
▸ IGF1R P08069 3/20 0.51
▸ HDAC1 Q13547 1/20 0.44
▸ FLT3 P36888 1/20 0.44

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
SCHEMBL6039787 0.83 MAPK8 (0.70) MAPK8MAPK9CDK2MAPK10JUN
SCHEMBL6039564 0.81 MAPK9 (0.74) MAPK8MAPK9CDK2MAPK10JUN
SCHEMBL6039801 0.80 IRAK4 (0.71) MAPK8MAPK9CDK2MAPK10JUN
SCHEMBL183898 0.79 MAPK8 (1.00) MAPK8MAPK9CDK2MAPK10JUN
SCHEMBL7888011 0.79 MAPK8 (1.00) MAPK8MAPK9CDK2MAPK10JUN
SCHEMBL21067872 0.78 MAPK10 (1.00) MAPK8MAPK9CDK2MAPK10JUN
SCHEMBL6039780 0.77 MAPK9 (0.66) MAPK8MAPK9CDK2MAPK10JUN
SCHEMBL18427775 0.77 IRAK4 (1.00) MAPK8MAPK9CDK2MAPK10JUN
SCHEMBL6039664 0.76 MAPK9 (0.72) MAPK8MAPK9CDK2MAPK10JUN
SCHEMBL6039892 0.75 MAPK9 (0.63) MAPK8MAPK9CDK2MAPK10JUN

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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