SCHEMBL24461663

SCHEMBL24461663

CNC(=O)c1cc(-n2c(C)cc(OCc3ncc(F)cc3F)c(Cl)c2=O)c(C)cn1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 20/20 0.59
MAPK14 Q16539 19/20 0.59
MAPK1 P28482 18/20 0.59
MAPKAPK2 P49137 1/20 0.59

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
SCHEMBL24461734 0.91 MAPKAPK5 (0.63) MAPKAPK5MAPK14MAPK1MAPKAPK2
SCHEMBL24461774 0.90 MAPKAPK5 (0.59) MAPKAPK5MAPK14MAPK1MAPKAPK2
SCHEMBL24461776 0.90 MAPKAPK5 (0.59) MAPKAPK5MAPK14MAPK1MAPKAPK2
SCHEMBL24461622 0.90 MAPKAPK5 (0.62) MAPKAPK5MAPK14MAPK1MAPKAPK2
SCHEMBL24461611 0.90 MAPKAPK5 (0.62) MAPKAPK5MAPK14MAPK1MAPKAPK2
SCHEMBL29617119 0.90 MAPKAPK5 (0.64) MAPKAPK5MAPK14MAPK1MAPKAPK2
SCHEMBL24461613 0.90 MAPKAPK5 (0.62) MAPKAPK5MAPK14MAPK1MAPKAPK2
SCHEMBL23000656 0.90 MAPKAPK5 (0.64) MAPKAPK5MAPK14MAPK1MAPKAPK2
SCHEMBL25751761 0.88 MAPK14 (0.61) MAPK14MAPKAPK2
SCHEMBL24461796 0.87 MAPKAPK5 (0.59) 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
WO-2022109481-A1 METHODS OF SYNTHESIZING SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS ACLARIS THERAPEUTICS, INC. (US) 2022-05-27 WO disclosed