SCHEMBL11088913

SCHEMBL11088913

CC(C)c1cnc(C#N)c(C#N)n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
AGTR1 P30556 1/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
KDM5A P29375 1/20 0.32
ERBB2 P04626 1/20 0.32
USP8 P40818 2/20 0.32
USP7 Q93009 2/20 0.32
USP47 Q96K76 1/20 0.32
GAA P10253 1/20 0.30

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
SCHEMBL811392 0.82 MAPT (0.35) MAPTAGTR1KDM4EALDH1A1POLB
SCHEMBL810514 0.72 GAA (0.38) MAPTKDM4EALDH1A1POLBLMNA
SCHEMBL810515 0.72 GAA (0.38) MAPTKDM4EALDH1A1POLBLMNA
SCHEMBL11032347 0.71 PIK3CD (0.43) MAPTKDM4EALDH1A1POLBLMNA
SCHEMBL1617515 0.71 MAPT (0.37) MAPTKDM4EALDH1A1POLBLMNA
SCHEMBL13082573 0.69 KDM5A (0.32) MAPTAGTR1LMNAKDM5A
SCHEMBL2014427 0.69 KDM4E (0.36) MAPTKDM4EALDH1A1POLBLMNA
SCHEMBL2628915 0.68 PANK3 (0.35) KDM4EALDH1A1LMNAGAA
SCHEMBL23649827 0.68 MAP4K1 (0.40) MAPTAGTR1KDM4EALDH1A1POLB
SCHEMBL30934917 0.68 MBOAT4 (0.34) MAPTAGTR1ERBB2USP8USP7

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