SCHEMBL31450201

SCHEMBL31450201

CN(C)C(=O)/C=C/CC[C@@H](CN(C)C(=O)O)C(=O)Nc1cccn(Cc2nc3c(OCc4ccc(F)cc4F)c(F)c(F)cc3[nH]2)c1=O

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 20/20 0.67

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
SCHEMBL31450562 0.91 MAP4K1 (0.79) MAP4K1
SCHEMBL31450643 0.90 MAP4K1 (0.63) MAP4K1
SCHEMBL31450751 0.88 MAP4K1 (0.68) MAP4K1
SCHEMBL21684481 0.88 MAP4K1 (0.83) MAP4K1
SCHEMBL21684478 0.88 MAP4K1 (0.83) MAP4K1
SCHEMBL21684482 0.88 MAP4K1 (0.83) MAP4K1
SCHEMBL31450570 0.86 MAP4K1 (0.65) MAP4K1
SCHEMBL31450631 0.84 MAP4K1 (0.60) MAP4K1
SCHEMBL31450168 0.84 MAP4K1 (0.78) MAP4K1
SCHEMBL31450578 0.83 MAP4K1 (0.74) 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