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Sugi Predict / Compounds / SCHEMBL25916148

SCHEMBL25916148

SCHEMBL25916148

CC(C)n1nc(C(C)(C)C)cc1NC(=O)Nc1ncc(CCc2ccnc(NC(=O)CCC(C)(C)c3cc(NC(=O)Nc4ncc(CCc5ccnc(NC(=O)C6CC6)c5)s4)[nH]n3)c2)s1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 20/20 0.66
▸ MAPK13 O15264 2/20 0.61

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
SCHEMBL23637696 0.84 MAPK14 (0.75) MAPK14MAPK13
SCHEMBL23637700 0.80 MAPK14 (1.00) MAPK14MAPK13
SCHEMBL29844518 0.79 MAPK14 (1.00) MAPK14MAPK13
SCHEMBL23201691 0.79 MAPK14 (1.00) MAPK14MAPK13
SCHEMBL23637680 0.78 MAPK14 (1.00) MAPK14MAPK13
SCHEMBL25915759 0.78 MAPK14 (0.71) MAPK14MAPK13
SCHEMBL23637687 0.77 MAPK14 (1.00) MAPK14MAPK13
SCHEMBL23201671 0.77 MAPK14 (1.00) MAPK14MAPK13
SCHEMBL23637673 0.76 MAPK14 (1.00) MAPK14MAPK13
SCHEMBL23201841 0.76 MAPK14 (1.00) 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