SCHEMBL25948501

SCHEMBL25948501

CN(C)C(=O)/C=C/CCCC(=O)Nc1cccn(Cc2nc3c(Oc4ccc(F)cc4F)c(F)cc(F)c3n2C(=O)OC(C)(C)C)c1=O

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 20/20 0.64

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
SCHEMBL21703268 0.91 MAP4K1 (0.76) MAP4K1
SCHEMBL25948205 0.91 MAP4K1 (0.64) MAP4K1
SCHEMBL25941856 0.90 MAP4K1 (0.63) MAP4K1
SCHEMBL25948610 0.90 MAP4K1 (0.65) MAP4K1
SCHEMBL25948597 0.87 MAP4K1 (0.76) MAP4K1
SCHEMBL21703344 0.87 MAP4K1 (0.84) MAP4K1
SCHEMBL25941119 0.85 MAP4K1 (0.58) MAP4K1
SCHEMBL25948615 0.83 MAP4K1 (0.62) MAP4K1
SCHEMBL25948252 0.82 MAP4K1 (0.78) MAP4K1
SCHEMBL25939420 0.81 MAP4K1 (0.74) MAP4K1

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-4219460-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS Sitari Pharma, Inc. (US) 2023-08-02 EP disclosed