SCHEMBL25946309

SCHEMBL25946309

CN(C)C(=O)/C=C/CCCC(=O)Nc1cccn(Cc2cc3cc(F)ccc3n2CC2CC2)c1=O

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 20/20 0.73

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
SCHEMBL25946324 0.90 MAP4K1 (0.72) MAP4K1
SCHEMBL25946303 0.89 MAP4K1 (0.72) MAP4K1
SCHEMBL25946314 0.88 MAP4K1 (0.70) MAP4K1
SCHEMBL25943830 0.88 MAP4K1 (0.74) MAP4K1
SCHEMBL25946466 0.87 MAP4K1 (0.58) MAP4K1
SCHEMBL25946397 0.86 MAP4K1 (0.61) MAP4K1
SCHEMBL21685093 0.84 MAP4K1 (1.00) MAP4K1
SCHEMBL21685095 0.84 MAP4K1 (1.00) MAP4K1
SCHEMBL21685098 0.84 MAP4K1 (1.00) MAP4K1
SCHEMBL31450503 0.84 MAP4K1 (0.76) 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