SCHEMBL11090104

SCHEMBL11090104

CCNc1nc(C#N)c(C#N)nc1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 10/20 0.59
ADORA2A P29274 9/20 0.59
ADORA2B P29275 2/20 0.49
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

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
SCHEMBL11093965 0.89 KDM4E (0.50) ADORA1ADORA2AADORA2BCHEK1ABL1
SCHEMBL11089932 0.86 ERBB2 (0.47) ADORA1ADORA2AADORA2BERBB2KMT2A
SCHEMBL11093505 0.85 ADORA1 (0.49) ADORA1ADORA2AADORA2BCHEK1ABL1
SCHEMBL11085923 0.84 CTSS (0.47) ADORA1ADORA2AADORA2BMAPK14KMT2A
SCHEMBL11090534 0.84 CTSS (0.49) ADORA1ADORA2AADORA2BKMT2AMEN1
SCHEMBL11090451 0.83 MAP4K4 (0.48) ADORA1ADORA2AADORA2BABL1LRRK2
SCHEMBL11093293 0.83 ADORA1 (0.60) ADORA1ADORA2AADORA2BKMT2AKDM4E
SCHEMBL11403379 0.82 L3MBTL1 (0.54) ADORA1ADORA2ACHEK1ABL1PDGFRB
SCHEMBL7537686 0.78 ERBB2 (0.59) ADORA1ADORA2ACHEK1ABL1PDGFRB
SCHEMBL11084595 0.78 ALDH1A1 (0.51) ADORA1ADORA2ACHEK1ABL1PDGFRB

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