SCHEMBL7294516

SCHEMBL7294516

Cc1cccc2c3c([nH]c12)CCNC3=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.52
PARP1 P09874 1/20 0.46
PARP10 Q53GL7 1/20 0.46
PARP11 Q9NR21 1/20 0.46
RPA1 P27694 1/20 0.41
MCL1 Q07820 1/20 0.41
DYRK1A Q13627 1/20 0.41
AHR P35869 1/20 0.41
MAPK9 P45984 2/20 0.40
MAPKAPK2 P49137 2/20 0.40
KDM4E B2RXH2 2/20 0.40
KIF11 P52732 1/20 0.40
KDR P35968 1/20 0.39
PIM1 P11309 2/20 0.39
PIM2 Q9P1W9 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL7286094 0.82 CDC7 (0.52) CDC7PARP10PARP11DYRK1AAHR
SCHEMBL7283436 0.82 CDC7 (0.52) CDC7DYRK1AMAPK9MAPKAPK2KDM4E
SCHEMBL7294857 0.81 MAPKAPK2 (0.50) CDC7MCL1DYRK1AMAPK9MAPKAPK2
SCHEMBL1658817 0.77 CDC7 (0.45) CDC7PARP1MAPK9MAPKAPK2KDM4E
SCHEMBL4265286 0.77 CLEC4M (0.50) CDC7DYRK1AKDM4EKDRPIM1
SCHEMBL6926709 0.77 DYRK1A (0.68) RPA1MCL1DYRK1AAHRKDM4E
SCHEMBL6352557 0.76 KDM4E (0.60) PARP1PARP10PARP11DYRK1AKDM4E
SCHEMBL1286 0.74 KDM4E (0.58) CDC7PARP1KDM4EKDRMEN1
SCHEMBL10154880 0.74 NISCH (0.47) CDC7PARP10PARP11DYRK1AMAPK9
SCHEMBL7284065 0.72 PIK3CG (0.47) CDC7MAPK9MAPKAPK2PIM1PIM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0353983-B1 Lactam derivatives GLAXO GROUP LTD (GB) 1996-05-29 EP disclosed
US-5183820-A Useful for treatment of nausea, vomiting, irritable bowel syndrome and dyspepsia GLAXO GROUP LIMITED (GB) 1993-02-02 US disclosed
EP-0353983-A2 Lactam derivatives GLAXO GROUP LIMITED (GB) 1990-02-07 EP disclosed