SCHEMBL29617155

SCHEMBL29617155

Cc1cnc(C#N)cc1-n1c(C)cc(OCc2ncc(F)cc2F)cc1=O

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 19/20 0.44
MAPKAPK2 P49137 1/20 0.44
MAPK14 Q16539 18/20 0.43
MAPK1 P28482 17/20 0.42
MCHR1 Q99705 1/20 0.36

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
SCHEMBL24461597 1.00 MAPKAPK5 (0.44) MAPKAPK5MAPKAPK2MAPK14MAPK1MCHR1
SCHEMBL29617154 1.00 MAPKAPK5 (0.44) MAPKAPK5MAPKAPK2MAPK14MAPK1MCHR1
SCHEMBL29617156 1.00 MAPKAPK5 (0.44) MAPKAPK5MAPKAPK2MAPK14MAPK1MCHR1
SCHEMBL26328388 0.94 MAPKAPK5 (0.42) MAPKAPK5MAPKAPK2MAPK14MAPK1
SCHEMBL24461779 0.89 MAPKAPK5 (0.43) MAPKAPK5MAPKAPK2MAPK14MAPK1MCHR1
SCHEMBL24461765 0.87 MAPKAPK5 (0.46) MAPKAPK5MAPKAPK2MAPK14MAPK1MCHR1
SCHEMBL24461708 0.86 MAPKAPK5 (0.43) MAPKAPK5MAPKAPK2MAPK14MAPK1MCHR1
SCHEMBL29617160 0.86 MAPKAPK5 (0.43) MAPKAPK5MAPKAPK2MAPK14MAPK1MCHR1
SCHEMBL24461531 0.86 MAPKAPK5 (0.43) MAPKAPK5MAPKAPK2MAPK14MAPK1
SCHEMBL29617146 0.86 MAPKAPK5 (0.43) MAPKAPK5MAPKAPK2MAPK14MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4247380-A1 METHODS OF SYNTHESIZING SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS Aclaris Therapeutics, Inc. (US) 2023-09-27 EP disclosed
WO-2022109481-A1 METHODS OF SYNTHESIZING SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS ACLARIS THERAPEUTICS, INC. (US) 2022-05-27 WO disclosed