SCHEMBL25947469

SCHEMBL25947469

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

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 20/20 0.74

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
SCHEMBL25947458 0.91 MAP4K1 (0.61) MAP4K1
SCHEMBL25947504 0.90 MAP4K1 (0.61) MAP4K1
SCHEMBL25947430 0.87 MAP4K1 (0.58) MAP4K1
SCHEMBL21683781 0.86 MAP4K1 (0.89) MAP4K1
SCHEMBL21683785 0.86 MAP4K1 (0.89) MAP4K1
SCHEMBL21683778 0.86 MAP4K1 (0.89) MAP4K1
SCHEMBL21703245 0.85 MAP4K1 (1.00) MAP4K1
SCHEMBL28598426 0.85 MAP4K1 (1.00) MAP4K1
SCHEMBL28598429 0.85 MAP4K1 (1.00) MAP4K1
SCHEMBL21703319 0.84 MAP4K1 (0.54) 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