SCHEMBL858490

SCHEMBL858490

Cc1[nH]c2ncccc2c1-c1ccc(/C=C/[N+](C)=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
LATS1 O95835 2/20 0.37
LATS2 Q9NRM7 1/20 0.37
PADI4 Q9UM07 2/20 0.37
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
IMPDH2 P12268 1/20 0.35
AURKA O14965 1/20 0.35
PARP1 P09874 1/20 0.35
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
HDAC1 Q13547 1/20 0.32
FEN1 P39748 1/20 0.32

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
SCHEMBL12774629 0.89 PADI4 (0.39) MAPK13MAPK12MAPK11MAPK14LATS1
SCHEMBL7983662 0.89 FBP1 (0.44) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL14845850 0.83 MAPK13 (0.42) MAPK13MAPK12MAPK11MAPK14LATS1
SCHEMBL858036 0.79 MAPK13 (0.43) MAPK13MAPK12MAPK11MAPK14LATS1
SCHEMBL857451 0.76 ADORA2A (0.48) MAPK13MAPK12MAPK11MAPK14LATS1
SCHEMBL858414 0.75 IMPDH2 (0.50) MAPK13MAPK12MAPK11MAPK14LATS1
SCHEMBL858101 0.74 MAPK14 (0.63) MAPK13MAPK12MAPK11MAPK14LATS1
SCHEMBL857640 0.74 IMPDH2 (0.61) MAPK13MAPK12MAPK11MAPK14LATS1
SCHEMBL858926 0.72 MAPK13 (0.44) MAPK13MAPK12MAPK11MAPK14LATS1
SCHEMBL858537 0.72 MAPK14 (0.44) MAPK13MAPK12MAPK11MAPK14LATS1

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
US-8143271-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-03-27 US disclosed