SCHEMBL20484385

SCHEMBL20484385

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

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JMJD6 Q6NYC1 2/20 0.32
GRM2 Q14416 1/20 0.31
MAPK14 Q16539 1/20 0.30
MAPKAPK2 P49137 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
SCHEMBL20484352 0.93 MAPKAPK2 (0.37) JMJD6GRM2MAPK14MAPKAPK2
SCHEMBL20484279 0.92 MAPK14 (0.40) MAPK14
SCHEMBL9109001 0.86 MAPKAPK2 (0.40) JMJD6GRM2MAPK14MAPKAPK2
SCHEMBL9111940 0.86 JMJD6 (0.33) JMJD6GRM2MAPK14MAPKAPK2
SCHEMBL9112448 0.84 MAPKAPK5 (0.42) JMJD6GRM2MAPK14MAPKAPK2
SCHEMBL20484351 0.82 MAPK14 (0.42) MAPK14
SCHEMBL20484362 0.80 MAPKAPK5 (0.40) MAPK14MAPKAPK2
SCHEMBL9111507 0.79 MAPKAPK2 (0.38) JMJD6GRM2MAPK14MAPKAPK2
SCHEMBL9109995 0.79 MAPKAPK2 (0.48) MAPK14MAPKAPK2
SCHEMBL9108784 0.78 MAPKAPK2 (0.43) JMJD6GRM2MAPK14MAPKAPK2

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