SCHEMBL6039289

SCHEMBL6039289

CCNC(=O)N1CCC(Nc2nccc(-c3cnn4ccccc34)n2)CC1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 12/20 0.66
MAPK9 P45984 12/20 0.66
JUN P05412 10/20 0.66
CDK2 P24941 10/20 0.66
MAPK10 P53779 8/20 0.66
CDK4 P11802 3/20 0.49
GSK3B P49841 2/20 0.49
CDK1 P06493 1/20 0.48
CCND1 P24385 1/20 0.48
DYRK1A Q13627 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.45
EGFR P00533 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 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
SCHEMBL8233238 0.81 MAPK8 (0.63) MAPK8MAPK9JUNCDK2MAPK10
SCHEMBL3649842 0.77 MAPK8 (0.67) MAPK8MAPK9JUNCDK2MAPK10
SCHEMBL2342670 0.73 HSD17B10 (0.61) KDM4EALDH1A1HSD17B10
SCHEMBL2348576 0.73 IGF1R (0.47) CDK2KDM4EALDH1A1HSD17B10
SCHEMBL3646457 0.72 MAPK8 (0.60) MAPK8MAPK9JUNCDK2MAPK10
SCHEMBL3649000 0.72 MAPK8 (0.60) MAPK8MAPK9JUNCDK2MAPK10
SCHEMBL13042854 0.72 DYRK1A (0.66) MAPK9CDK2MAPK10CDK4GSK3B
SCHEMBL13043178 0.71 DYRK1A (0.59) CDK2CDK4GSK3BDYRK1AEGFR
SCHEMBL6039720 0.70 MAPK8 (0.74) MAPK8MAPK9JUNCDK2MAPK10
SCHEMBL6039763 0.70 MAPK8 (0.81) MAPK8MAPK9JUNCDK2MAPK10

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