SCHEMBL6039673

SCHEMBL6039673

NC(=O)c1cccc2c1ccn2-c1ccnc(NC2CCN(C(=O)O)CC2)n1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 20/20 0.57
MAPK9 P45984 7/20 0.55
JUN P05412 1/20 0.55
CDK2 P24941 1/20 0.55
MAPK10 P53779 6/20 0.53

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
SCHEMBL6039443 0.89 MAPK8 (0.59) MAPK8MAPK9JUNCDK2MAPK10
SCHEMBL6039567 0.84 MAPK8 (0.59) MAPK8MAPK9JUNCDK2MAPK10
SCHEMBL6039410 0.84 MAPK8 (0.59) MAPK8MAPK9JUNCDK2MAPK10
SCHEMBL6040015 0.84 MAPK8 (0.53) MAPK8MAPK9JUNCDK2MAPK10
SCHEMBL3826187 0.82 MAPK8 (0.69) MAPK8MAPK9MAPK10
SCHEMBL6039354 0.82 MAPK8 (0.59) MAPK8MAPK9JUNCDK2MAPK10
SCHEMBL5094133 0.82 MAPK8 (0.69) MAPK8MAPK9MAPK10
SCHEMBL3471867 0.81 MAPK8 (0.50) MAPK8MAPK9JUNCDK2MAPK10
SCHEMBL13638681 0.77 MAPK8 (0.48) MAPK8MAPK9MAPK10
SCHEMBL3819610 0.77 MAPK8 (0.65) MAPK8MAPK9MAPK10

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