SCHEMBL8744686

SCHEMBL8744686

Cc1[nH]c(C#N)nc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.47
HPGDS O60760 1/20 0.47
CHEK1 O14757 1/20 0.47
ABL1 P00519 1/20 0.47
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
FLT1 P17948 1/20 0.47
GRK5 P34947 1/20 0.47
KDR P35968 1/20 0.47
MAP2K2 P36507 1/20 0.47
CDK8 P49336 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
PRKX P51817 1/20 0.47
NEK2 P51955 1/20 0.47
LIMK1 P53667 1/20 0.47
MAP2K1 Q02750 1/20 0.47
PRKCQ Q04759 1/20 0.47
MAP4K2 Q12851 1/20 0.47
DYRK1A Q13627 1/20 0.47

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
SCHEMBL8744702 0.86 ERBB2 (0.49) NPY5RKDM4ESMN1; SMN2ADORA1ADORA2A
SCHEMBL8744773 0.84 KDM4E (0.44) NPY5RCDK8GSK3BMAPK14HPGD
SCHEMBL724250 0.77 NPY5R (0.72) NPY5RHPGDSMAPK14SMPD3HPGD
SCHEMBL7601774 0.75 HPGD (0.68) NPY5RHPGDSSMPD3HPGDKDM4E
SCHEMBL11601050 0.75 HPGD (0.41) NPY5RHPGDSCHEK1ABL1PDGFRB
SCHEMBL31305589 0.74 NPY5R (0.68) NPY5RHPGDSMAPK14SMPD3HPGD
SCHEMBL4083806 0.71 PTGS1 (0.45) NPY5RHPGDSSMPD3ADORA1MEN1
SCHEMBL7142762 0.71 NPY5R (0.64) NPY5RHPGDSMAPK14SMPD3HPGD
SCHEMBL28399047 0.70 NPY5R (0.71) NPY5RHPGDSMAPK14SMPD3POLB
SCHEMBL1690522 0.69 ADORA3 (0.46) NPY5RHPGDSMAPK14SMPD3HPGD

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-0653421-B1 Process for preparing 2-cyanoimidazole compounds ISHIHARA SANGYO KAISHA (JP) 1997-01-15 EP disclosed
US-5552557-A Process for preparing 2-cyanoimidazole compounds by reaction of an amino ketone compound ISHIHARA SANGYO KAISHA, LTD. (JP) 1996-09-03 US disclosed
EP-0653421-A1 Process for preparing 2-cyanoimidazole compounds ISHIHARA SANGYO KAISHA LTD. (JP) 1995-05-17 EP disclosed