SCHEMBL7976103

SCHEMBL7976103

NC(=O)N/N=C1/CCNC(=O)c2[nH]c3ccc(C(=O)O)cc3c21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 4/20 0.47
CDK5R1 Q15078 3/20 0.47
GSK3B P49841 2/20 0.42
PLK4 O00444 1/20 0.42
DAPK3 O43293 1/20 0.42
DYRK3 O43781 1/20 0.42
JAK2 O60674 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
PIM1 P11309 1/20 0.42
RPS6KB1 P23443 1/20 0.42
CDK2 P24941 1/20 0.42
MAPK1 P28482 1/20 0.42
KDR P35968 1/20 0.42
MAPK8 P45983 1/20 0.42
CLK2 P49760 1/20 0.42
DYRK1A Q13627 1/20 0.42
PIM3 Q86V86 1/20 0.42
MINK1 Q8N4C8 1/20 0.42
AURKB Q96GD4 1/20 0.42

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
SCHEMBL7976105 1.00 CDK5 (0.47) CDK5CDK5R1GSK3BPLK4DAPK3
SCHEMBL3000687 0.80 GSK3B (0.50) CDK5GSK3BPLK4DAPK3DYRK3
SCHEMBL7982325 0.75 TUBB4A (0.54) CDK5CDK5R1PARP1TUBB4ATUBB
SCHEMBL1144599 0.75 PLK4 (0.68) CDK5GSK3BPLK4DAPK3DYRK3
SCHEMBL13248535 0.73 MAPKAPK2 (0.57) CDK5CDK5R1MAPK1MAPKAPK2MAPT
SCHEMBL3000848 0.68 MAPKAPK2 (0.73) CDK5CDK5R1MAPK1MAPKAPK2LMNA
SCHEMBL3000844 0.68 MAPKAPK2 (0.73) CDK5CDK5R1MAPK1MAPKAPK2LMNA
SCHEMBL13341123 0.67 CDK5 (0.62) CDK5CDK5R1GSK3BMAPKAPK2TUBB4A
SCHEMBL3426070 0.67 CDK5 (0.62) CDK5CDK5R1GSK3BMAPKAPK2TUBB4A
SCHEMBL3426073 0.67 CDK5 (0.62) CDK5CDK5R1GSK3BMAPKAPK2TUBB4A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001064680-A1 MYT1 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-07 WO claimed
WO-2001064680-A1 MYT1 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-07 WO disclosed