SCHEMBL6039720

SCHEMBL6039720

CCNC(=O)N1CCC(Nc2nccc(-n3ccc4c(N(C)C)cccc43)n2)CC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 20/20 0.74
MAPK9 P45984 7/20 0.74
CDK2 P24941 4/20 0.74
JUN P05412 4/20 0.74
MAPK10 P53779 3/20 0.51
CIT O14578 1/20 0.49
DAPK3 O43293 1/20 0.49
STK16 O75716 1/20 0.49
PDGFRB P09619 1/20 0.49
EIF2AK2 P19525 1/20 0.49
CDK11B P21127 1/20 0.49
MAPK3 P27361 1/20 0.49
MAPK1 P28482 1/20 0.49
MAPK4 P31152 1/20 0.49
TTK P33981 1/20 0.49
MAP2K4 P45985 1/20 0.49
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
CDK7 P50613 1/20 0.49
MAP2K6 P52564 1/20 0.49

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
SCHEMBL6039410 0.89 MAPK8 (0.59) MAPK8MAPK9CDK2JUNMAPK10
SCHEMBL6039793 0.83 MAPK8 (0.53) MAPK8MAPK9CDK2JUNMAPK10
SCHEMBL6039599 0.76 MAPK8 (0.66) MAPK8MAPK9CDK2JUNMAPK10
SCHEMBL14768234 0.76 MAPK8 (0.64) MAPK8MAPK9MAPK10MKNK1
SCHEMBL6039443 0.75 MAPK8 (0.59) MAPK8MAPK9CDK2JUNMAPK10
SCHEMBL6039567 0.75 MAPK8 (0.59) MAPK8MAPK9CDK2JUNMAPK10
SCHEMBL14175751 0.74 MAPK8 (0.67) MAPK8MAPK9MAPK10CITDAPK3
SCHEMBL14768284 0.74 MAPK8 (0.67) MAPK8MAPK9MAPK10CITDAPK3
SCHEMBL6039673 0.74 MAPK8 (0.57) MAPK8MAPK9CDK2JUNMAPK10
SCHEMBL6039300 0.73 MAPK8 (0.58) MAPK8MAPK9CDK2JUNMAPK10

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