SCHEMBL20484352

SCHEMBL20484352

CCCCc1ncc(C)c(-c2cc(-n3c(C)cc(OCc4ccn(C)n4)c(Cl)c3=O)ccn2)n1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 3/20 0.37
MAPKAPK5 Q8IW41 13/20 0.37
MAPK14 Q16539 13/20 0.35
MAPK1 P28482 12/20 0.35
JMJD6 Q6NYC1 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
BRD4 O60885 1/20 0.31
GRM2 Q14416 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
SCHEMBL20484385 0.93 JMJD6 (0.32) MAPKAPK2MAPK14JMJD6GRM2
SCHEMBL20484279 0.92 MAPK14 (0.40) MAPK14
SCHEMBL20484362 0.88 MAPKAPK5 (0.40) MAPKAPK2MAPKAPK5MAPK14MAPK1
SCHEMBL9111507 0.86 MAPKAPK2 (0.38) MAPKAPK2MAPKAPK5MAPK14MAPK1JMJD6
SCHEMBL9109995 0.86 MAPKAPK2 (0.48) MAPKAPK2MAPKAPK5MAPK14MAPK1HDAC1
SCHEMBL9110839 0.84 MAPKAPK5 (0.49) MAPKAPK2MAPKAPK5MAPK14MAPK1
SCHEMBL20484351 0.82 MAPK14 (0.42) MAPK14
SCHEMBL9109001 0.79 MAPKAPK2 (0.40) MAPKAPK2MAPKAPK5MAPK14JMJD6BRD4
SCHEMBL9111940 0.79 JMJD6 (0.33) MAPKAPK2MAPKAPK5MAPK14JMJD6BRD4
SCHEMBL9108613 0.79 MAPKAPK2 (0.38) MAPKAPK2MAPKAPK5MAPK14MAPK1JMJD6

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