SCHEMBL25914844

SCHEMBL25914844

COC(=O)Nc1cc(CCc2cnc(NCNc3cc(C(C)(C)C)nn3-c3ccccc3)s2)ccn1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.75
MAPK13 O15264 5/20 0.68

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
SCHEMBL23637720 0.90 MAPK14 (0.88) MAPK14MAPK13
SCHEMBL23201722 0.85 MAPK14 (1.00) MAPK14MAPK13
SCHEMBL29844424 0.85 MAPK14 (1.00) MAPK14MAPK13
SCHEMBL29844448 0.81 MAPK13 (1.00) MAPK14MAPK13
SCHEMBL23201694 0.81 MAPK13 (1.00) MAPK14MAPK13
SCHEMBL23201760 0.80 MAPK14 (1.00) MAPK14MAPK13
SCHEMBL29844525 0.80 MAPK14 (1.00) MAPK14MAPK13
SCHEMBL23201700 0.78 MAPK14 (1.00) MAPK14MAPK13
SCHEMBL23201844 0.78 MAPK14 (1.00) MAPK14MAPK13
SCHEMBL25641451 0.77 MAPK14 (0.87) MAPK14MAPK13

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-4219489-A2 MITOGEN-ACTIVATED PROTEIN KINASE INHIBITORS, METHODS OF MAKING, AND METHODS OF USE THEREOF Washington University (US) 2023-08-02 EP disclosed