SCHEMBL8744693

SCHEMBL8744693

N#Cc1nc(-c2ccncc2)c[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.47
CDK8 P49336 1/20 0.47
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
SQOR Q9Y6N5 2/20 0.37
MAPK1 P28482 2/20 0.37
PKN1 Q16512 1/20 0.36
PKN2 Q16513 1/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
HASPIN Q8TF76 1/20 0.36
IDO1 P14902 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
XDH P47989 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
HDAC8 Q9BY41 1/20 0.34

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
SCHEMBL7432291 0.83 ADORA2A (0.41) SQORMAPK1LMNAMAPTADORA2A
SCHEMBL27684707 0.81 HDAC8 (0.39) CCNCCDK8PIK3CDPIK3CAPIK3CB
SCHEMBL8744832 0.80 MCL1 (0.42) SQORMAPK1MAPTADORA2AADORA1
SCHEMBL8744743 0.80 MCL1 (0.41) SQORLMNAMAPTADORA2AADORA1
SCHEMBL8744752 0.80 ERBB2 (0.41) LMNAMAPTADORA2AADORA1XDH
SCHEMBL8744687 0.80 KIF11 (0.47)
SCHEMBL8744692 0.76 CYP2A6 (0.43) LMNAMAPTNPC1CYP1A2CYP3A4
SCHEMBL4874412 0.75 LMNA (0.40) CCNCCDK8MAPK1IDO1LMNA
SCHEMBL9876232 0.74 MAPT (0.43) PIK3CAPIK3CBMAPTXDHNPC1
SCHEMBL8744753 0.73 CTSS (0.49) IDO1MAPTADORA2AADORA1XDH

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