SCHEMBL20484289

SCHEMBL20484289

CCCCc1nccc(-c2cc(-n3c(C)cc(OCc4ccn(C)n4)c(Br)c3=O)c(Cl)cn2)n1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 3/20 0.38
MAPKAPK5 Q8IW41 2/20 0.37
MAPK14 Q16539 17/20 0.37
MAPK1 P28482 1/20 0.31

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
SCHEMBL20484351 0.87 MAPK14 (0.42) MAPK14
SCHEMBL20484315 0.86 MAPKAPK2 (0.38) MAPKAPK2MAPKAPK5MAPK14
SCHEMBL9111934 0.86 MAPKAPK2 (0.39) MAPKAPK2MAPKAPK5MAPK14
SCHEMBL9111824 0.86 MAPKAPK2 (0.52) MAPKAPK2MAPKAPK5MAPK14MAPK1
SCHEMBL9109602 0.85 MAPKAPK5 (0.54) MAPKAPK2MAPKAPK5MAPK14MAPK1
SCHEMBL20484362 0.83 MAPKAPK5 (0.40) MAPKAPK2MAPKAPK5MAPK14MAPK1
SCHEMBL9109373 0.80 MAPKAPK2 (0.45) MAPKAPK2MAPKAPK5MAPK14MAPK1
SCHEMBL9109550 0.79 MAPK14 (0.37) MAPKAPK2MAPKAPK5MAPK14MAPK1
SCHEMBL20484279 0.79 MAPK14 (0.40) MAPK14
SCHEMBL9110580 0.79 MAPKAPK2 (0.45) MAPKAPK2MAPKAPK5MAPK14MAPK1

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
EP-2648516-B1 SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS ACLARIS THERAPEUTICS INC (US) 2018-09-05 EP claimed