SCHEMBL7500905

SCHEMBL7500905

CCOC(=O)c1cccc2c3c([nH]c12)C(=O)NCC3

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.62
DAPK3 O43293 1/20 0.62
DYRK3 O43781 1/20 0.62
JAK2 O60674 1/20 0.62
PRKD3 O94806 1/20 0.62
MAP4K4 O95819 1/20 0.62
PIM1 P11309 1/20 0.62
RPS6KB1 P23443 1/20 0.62
CDK2 P24941 1/20 0.62
MAPK1 P28482 1/20 0.62
KDR P35968 1/20 0.62
MAPK8 P45983 1/20 0.62
CLK2 P49760 1/20 0.62
GSK3B P49841 1/20 0.62
CDK5 Q00535 1/20 0.62
DYRK1A Q13627 1/20 0.62
PIM3 Q86V86 1/20 0.62
MINK1 Q8N4C8 1/20 0.62
AURKB Q96GD4 1/20 0.62
PBK Q96KB5 1/20 0.62

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
SCHEMBL4265286 0.81 CLEC4M (0.50) PLK4DAPK3DYRK3JAK2PRKD3
SCHEMBL12764944 0.78 CLEC4M (0.49) PLK4DAPK3DYRK3JAK2PRKD3
SCHEMBL12764985 0.77 CLEC4M (0.53) MAPK1CLEC4MKDM4EHPGDKMT2A
SCHEMBL6352557 0.77 KDM4E (0.60) PLK4DAPK3DYRK3JAK2PRKD3
SCHEMBL2993573 0.77 MAPK1 (1.00) PLK4DAPK3DYRK3JAK2PRKD3
SCHEMBL31686108 0.73 TSHR (0.53) PLK4DAPK3DYRK3JAK2PRKD3
SCHEMBL12764935 0.73 PARP1 (0.61) CLEC4MKDM4EHPGDKMT2AMEN1
SCHEMBL28370434 0.72 KDM4E (0.60) KDM4EHPGDKMT2AMEN1CYP1A2
SCHEMBL11737708 0.72 CLEC4M (0.58) CLEC4MKDM4EKMT2AMEN1CYP1A2
SCHEMBL6353901 0.72 HTT (0.64) GSK3BCDK5DYRK1AKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0652892-B1 LACTAM DIPEPTIDES HAVING HLE INHIBITING ACTIVITY ZENECA LTD (GB) 1997-08-20 EP disclosed
EP-0652892-A1 LACTAM DIPEPTIDES HAVING HLE INHIBITING ACTIVITY. ZENECA LTD (GB) 1995-05-17 EP disclosed
US-5405852-A Amide derivatives ZENECA LIMITED (GB) 1995-04-11 US disclosed
WO-1993024519-A1 LACTAM DIPEPTIDES HAVING HLE INHIBITING ACTIVITY ZENECA LIMITED (GB) 1993-12-09 WO disclosed