SCHEMBL11093293

SCHEMBL11093293

CCNc1nc(C#N)c(C#N)nc1-c1cccc(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 8/20 0.60
ADORA2A P29274 7/20 0.60
PGK1 P00558 1/20 0.57
ALOX15 P16050 1/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
ADORA2B P29275 3/20 0.48
MAP4K4 O95819 1/20 0.47
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 5/20 0.46
HPGD P15428 5/20 0.46
HSD17B10 Q99714 2/20 0.46
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TRPA1 O75762 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL11087127 0.91 ADORA1 (0.51) ADORA1ADORA2APGK1ALOX15CTSS
SCHEMBL11411717 0.86 ADORA1 (0.56) ADORA1ADORA2APGK1ALOX15CTSS
SCHEMBL11085923 0.85 CTSS (0.47) ADORA1ADORA2APGK1CTSSCTSK
SCHEMBL11090534 0.85 CTSS (0.49) ADORA1ADORA2APGK1ALOX15CTSS
SCHEMBL11090451 0.84 MAP4K4 (0.48) ADORA1ADORA2APGK1ADORA2BMAP4K4
SCHEMBL11090104 0.83 ADORA1 (0.59) ADORA1ADORA2AADORA2BKDM4EALDH1A1
SCHEMBL11094668 0.80 ADORA1 (0.46) ADORA1ADORA2APGK1ALOX15CTSS
SCHEMBL11091380 0.78 ADORA1 (0.56) ADORA1ADORA2AALOX15CTSSCTSK
SCHEMBL11096062 0.76 CTSS (0.44) ADORA1ADORA2AALOX15CTSSCTSK
SCHEMBL11090728 0.76 CTSS (0.46) ADORA1ADORA2AALOX15CTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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