SCHEMBL6039664

SCHEMBL6039664

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

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 7/20 0.72
MAPK8 P45983 5/20 0.72
IRAK4 Q9NWZ3 5/20 0.66
CDK2 P24941 6/20 0.65
MAPK10 P53779 3/20 0.65
JUN P05412 1/20 0.65
IGF1R P08069 3/20 0.52
IKBKB O14920 1/20 0.47
CDK1 P06493 1/20 0.47
CDK4 P11802 1/20 0.47
DYRK1A Q13627 1/20 0.47

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
SCHEMBL7877100 0.83 MAPK9 (1.00) MAPK9MAPK8IRAK4CDK2MAPK10
SCHEMBL183113 0.83 MAPK9 (1.00) MAPK9MAPK8IRAK4CDK2MAPK10
SCHEMBL6039375 0.83 CDK2 (0.66) MAPK9MAPK8CDK2JUNIGF1R
SCHEMBL6039564 0.82 MAPK9 (0.74) MAPK9MAPK8IRAK4CDK2MAPK10
SCHEMBL18427775 0.80 IRAK4 (1.00) MAPK9MAPK8IRAK4CDK2MAPK10
SCHEMBL7888011 0.80 MAPK8 (1.00) MAPK9MAPK8IRAK4CDK2MAPK10
SCHEMBL183898 0.80 MAPK8 (1.00) MAPK9MAPK8IRAK4CDK2MAPK10
SCHEMBL21067872 0.79 MAPK10 (1.00) MAPK9MAPK8IRAK4CDK2MAPK10
SCHEMBL6039880 0.78 IRAK4 (0.68) MAPK9MAPK8IRAK4CDK2MAPK10
SCHEMBL6039787 0.77 MAPK8 (0.70) MAPK9MAPK8IRAK4CDK2MAPK10

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