SCHEMBL11084131

SCHEMBL11084131

N#Cc1nc(O)c(-c2cccc(Cl)c2)nc1C#N

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 7/20 0.54
ADORA2A P29274 7/20 0.54
ADORA2B P29275 3/20 0.54
ALOX15 P16050 1/20 0.47
GSR P00390 1/20 0.46
GRM5 P41594 2/20 0.43
USP8 P40818 2/20 0.43
USP7 Q93009 2/20 0.43
USP47 Q96K76 1/20 0.43
ATM Q13315 1/20 0.42
ALOX5 P09917 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL11091380 0.84 ADORA1 (0.56) ADORA1ADORA2AADORA2BALOX15GSR
SCHEMBL11095182 0.80 CHEK1 (0.50) ADORA1ADORA2AADORA2BUSP8USP7
SCHEMBL11366922 0.79 ALOX15 (0.46) ADORA1ADORA2AALOX15USP8USP7
SCHEMBL11411717 0.78 ADORA1 (0.56) ADORA1ADORA2AADORA2BALOX15GSR
SCHEMBL28823023 0.76 ADORA1 (0.66) ADORA1ADORA2AADORA2BALOX15GRM5
SCHEMBL28949045 0.76 ADORA1 (0.66) ADORA1ADORA2AADORA2BALOX15GRM5
SCHEMBL11093293 0.76 ADORA1 (0.60) ADORA1ADORA2AADORA2BALOX15CTSS
SCHEMBL11403339 0.76 KDM4E (0.50) ADORA1ADORA2AADORA2BALOX5KDM4E
SCHEMBL11087127 0.73 ADORA1 (0.51) ADORA1ADORA2AADORA2BALOX15GSR
SCHEMBL22239386 0.71 ALOX5 (0.51) ADORA1ADORA2AADORA2BALOX15GSR

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
JP-55045647-A None JP disclosed
US-4460403-A 2,3-Dicyano 6 phenyl pyrazine herbicides KYOWA GAS CHEMICAL INDUSTRY CO., LTD. (JP) 1984-07-17 US disclosed
US-4259489-A PREEMERGENCE AND POSTEMERGENCE HERBICIDES KYOWA GAS CHEMICAL INDUSTRY CO. LTD. (JP) 1981-03-31 US disclosed
JP-S5545647-A NOVEL 2,3-DICYANOPIRAZINE DERIVATIVE, ITS PREPARATION, AND HERBICIDE CONTAINING THE COMPOUND AS EFFECTIVE COMPONENT KYOWA GAS CHEM IND CO LTD 1980-03-31 JP disclosed