SCHEMBL20484362

SCHEMBL20484362

CCCCc1ncc(C)c(-c2cc(-n3c(C)cc(OCc4ccn(C)n4)c(Cl)c3=O)c(Cl)cn2)n1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 18/20 0.40
MAPK14 Q16539 17/20 0.40
MAPK1 P28482 16/20 0.40
MAPKAPK2 P49137 3/20 0.40

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 0.88 MAPKAPK2 (0.37) MAPKAPK5MAPK14MAPK1MAPKAPK2
SCHEMBL9112052 0.86 MAPKAPK2 (0.52) MAPKAPK5MAPK14MAPK1MAPKAPK2
SCHEMBL9112324 0.86 MAPKAPK2 (0.41) MAPKAPK5MAPK14MAPK1MAPKAPK2
SCHEMBL9110909 0.84 MAPKAPK5 (0.53) MAPKAPK5MAPK14MAPK1MAPKAPK2
SCHEMBL20484289 0.83 MAPKAPK2 (0.38) MAPKAPK5MAPK14MAPK1MAPKAPK2
SCHEMBL9110551 0.81 MAPKAPK2 (0.57) MAPKAPK5MAPK14MAPK1MAPKAPK2
SCHEMBL9110677 0.81 MAPKAPK2 (0.46) MAPKAPK5MAPK14MAPK1MAPKAPK2
SCHEMBL9108494 0.81 MAPKAPK2 (0.45) MAPKAPK5MAPK14MAPK1MAPKAPK2
SCHEMBL20484385 0.80 JMJD6 (0.32) MAPK14MAPKAPK2
SCHEMBL9111769 0.80 MAPKAPK2 (0.36) MAPKAPK5MAPK14MAPK1MAPKAPK2

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