SCHEMBL21730237

SCHEMBL21730237

CNc1ccc(C)c(CNC(=O)OC(C)(C)C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.43
MAPKAPK2 P49137 6/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
NAMPT P43490 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
BCHE P06276 1/20 0.38
CACNA1H O95180 1/20 0.37
CACNA1B Q00975 1/20 0.37
CACNA1C Q13936 1/20 0.37
CYP1A2 P05177 1/20 0.37
PCSK9 Q8NBP7 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL22551972 0.86 KDM4A (0.41) KDM4AMAPKAPK2L3MBTL1PRMT5WDR77
SCHEMBL29907501 0.86 KDM4A (0.41) KDM4AMAPKAPK2L3MBTL1PRMT5WDR77
SCHEMBL29112758 0.76 CNR2 (0.41) MAPKAPK2CA12CA1CA9
SCHEMBL1631864 0.76 ADORA2A (0.48) KDM4AL3MBTL1NAMPT
SCHEMBL29112878 0.75 GSK3B (0.41) MAPKAPK2CA12CA1CA9
SCHEMBL29664294 0.73 KDM4A (0.44) KDM4AMAPKAPK2L3MBTL1KDM4ELMNA
SCHEMBL31437524 0.72 MAPKAPK2 (0.43) KDM4AMAPKAPK2L3MBTL1PRMT5WDR77
SCHEMBL3124959 0.72 ALDH1A1 (0.55) KDM4AL3MBTL1KDM4ELMNAPOLB
SCHEMBL2083332 0.70 ADORA2A (0.43) KDM4AMAPKAPK2L3MBTL1PRMT5WDR77
SCHEMBL16020337 0.70 NAMPT (0.49) KDM4AL3MBTL1KDM4ELMNANAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020035052-A1 PYRAZINE COMPOUNDS AND USES THEREOF DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2020-02-20 WO disclosed