SCHEMBL25940323

SCHEMBL25940323

CN(C)C(=O)/C=C/CCCC(=O)Nc1cccn(Cc2nc3cc(F)cc(CC(C)(C)C)c3[nH]2)c1=O

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 20/20 0.53

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
SCHEMBL25941029 0.90 MAP4K1 (0.52) MAP4K1
SCHEMBL21702971 0.90 MAP4K1 (0.55) MAP4K1
SCHEMBL25940339 0.90 MAP4K1 (0.56) MAP4K1
SCHEMBL25940477 0.90 MAP4K1 (0.55) MAP4K1
SCHEMBL21683895 0.90 MAP4K1 (0.52) MAP4K1
SCHEMBL21703138 0.89 MAP4K1 (0.51) MAP4K1
SCHEMBL25945992 0.89 MAP4K1 (0.53) MAP4K1
SCHEMBL25940378 0.89 MAP4K1 (0.46) MAP4K1
SCHEMBL21703324 0.88 MAP4K1 (0.54) MAP4K1
SCHEMBL25940584 0.87 MAP4K1 (0.50) 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