SCHEMBL25947504

SCHEMBL25947504

CN(C)C(=O)/C=C/CCCC(=O)Nc1cccn(Cc2nc3cccc(OCC(F)(F)F)c3s2)c1=O

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 20/20 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
SCHEMBL25947520 0.91 MAP4K1 (0.50) MAP4K1
SCHEMBL25947469 0.90 MAP4K1 (0.74) MAP4K1
SCHEMBL25947430 0.87 MAP4K1 (0.58) MAP4K1
SCHEMBL21684089 0.85 MAP4K1 (0.75) MAP4K1
SCHEMBL21684087 0.85 MAP4K1 (0.75) MAP4K1
SCHEMBL21684082 0.85 MAP4K1 (0.75) MAP4K1
SCHEMBL21703247 0.85 MAP4K1 (0.85) MAP4K1
SCHEMBL28961244 0.85 MAP4K1 (0.85) MAP4K1
SCHEMBL28961246 0.85 MAP4K1 (0.85) MAP4K1
SCHEMBL25947802 0.84 MAP4K1 (0.64) 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