Sugi Predict

Sugi Predict / Compounds / SCHEMBL25916919

SCHEMBL25916919

SCHEMBL25916919

Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCc3ccnc(NC(=O)CCC(=O)Nc4cc(CCc5ccc(NC(=O)Nc6cc(C(C)(C)C)nn6-c6ccc(F)cc6)c(F)c5)ccn4)c3)cc2F)cc1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 20/20 0.78
▸ MAPK13 O15264 3/20 0.73
▸ HCK P08631 11/20 0.58
▸ MAPK12 P53778 10/20 0.58
▸ SRC P12931 2/20 0.58

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
SCHEMBL25921389 0.94 MAPK14 (0.72) MAPK14MAPK13HCKMAPK12SRC
SCHEMBL23201744 0.88 MAPK14 (1.00) MAPK14MAPK13HCKMAPK12SRC
SCHEMBL29844433 0.88 MAPK14 (1.00) MAPK14MAPK13HCKMAPK12SRC
SCHEMBL23201725 0.85 MAPK14 (1.00) MAPK14MAPK13HCKMAPK12SRC
SCHEMBL23201681 0.85 MAPK14 (0.91) MAPK14MAPK13HCKMAPK12
SCHEMBL23201704 0.85 MAPK14 (1.00) MAPK14MAPK13HCKMAPK12SRC
SCHEMBL29844373 0.85 MAPK14 (1.00) MAPK14MAPK13HCKMAPK12SRC
SCHEMBL23201731 0.85 MAPK14 (1.00) MAPK14MAPK13HCKMAPK12SRC
SCHEMBL25916800 0.83 MAPK14 (0.88) MAPK14MAPK13HCKMAPK12SRC
SCHEMBL25641498 0.83 MAPK14 (0.88) MAPK14MAPK13HCKMAPK12

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