SCHEMBL31450562

SCHEMBL31450562

CN(C)C(=O)/C=C/CC[C@@H](CN(C)C(=O)O)C(=O)Nc1cccn(Cc2nc3c(Oc4ccc(F)cc4F)c(F)c(F)cc3[nH]2)c1=O

nearest known ligand 0.79

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 20/20 0.79

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
SCHEMBL31450201 0.91 MAP4K1 (0.67) MAP4K1
SCHEMBL21685444 0.88 MAP4K1 (1.00) MAP4K1
SCHEMBL21685446 0.88 MAP4K1 (1.00) MAP4K1
SCHEMBL21685442 0.88 MAP4K1 (1.00) MAP4K1
SCHEMBL21685135 0.88 MAP4K1 (1.00) MAP4K1
SCHEMBL21685134 0.88 MAP4K1 (1.00) MAP4K1
SCHEMBL25948121 0.86 MAP4K1 (0.77) MAP4K1
SCHEMBL31450631 0.85 MAP4K1 (0.60) MAP4K1
SCHEMBL31450578 0.84 MAP4K1 (0.74) MAP4K1
SCHEMBL31450460 0.82 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-B1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA INC (US) 2025-02-26 EP claimed