SCHEMBL25948627

SCHEMBL25948627

CN(C)C(=O)/C=C/CCCC(=O)Nc1cccn(Cc2nc3c(OCc4ccccc4)c(F)cc(F)c3[nH]2)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
SCHEMBL25948136 0.90 MAP4K1 (0.63) MAP4K1
SCHEMBL21685407 0.86 MAP4K1 (0.73) MAP4K1
SCHEMBL21685415 0.86 MAP4K1 (0.73) MAP4K1
SCHEMBL21685411 0.86 MAP4K1 (0.73) MAP4K1
SCHEMBL25948615 0.86 MAP4K1 (0.62) MAP4K1
SCHEMBL28916724 0.85 MAP4K1 (0.81) MAP4K1
SCHEMBL28916721 0.85 MAP4K1 (0.81) MAP4K1
SCHEMBL21703086 0.85 MAP4K1 (0.81) MAP4K1
SCHEMBL25942012 0.84 MAP4K1 (0.56) MAP4K1
SCHEMBL25948919 0.84 MAP4K1 (0.63) 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