SCHEMBL31450697

SCHEMBL31450697

COC(=O)N[C@@H](CC/C=C/C(=O)N1CCCC1)C(=O)Nc1cccn(Cc2cc3cccc(CC(C)C)c3n2C(=O)OC(C)(C)C)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 20/20 1.00

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
SCHEMBL21703204 1.00 MAP4K1 (1.00) MAP4K1
SCHEMBL30203373 0.94 MAP4K1 (1.00) MAP4K1
SCHEMBL23453199 0.94 MAP4K1 (1.00) MAP4K1
SCHEMBL31450541 0.94 MAP4K1 (1.00) MAP4K1
SCHEMBL21703061 0.94 MAP4K1 (1.00) MAP4K1
SCHEMBL21684916 0.92 MAP4K1 (0.85) MAP4K1
SCHEMBL21684915 0.92 MAP4K1 (0.85) MAP4K1
SCHEMBL21684914 0.92 MAP4K1 (0.85) MAP4K1
SCHEMBL21703355 0.91 MAP4K1 (0.86) MAP4K1
SCHEMBL30203200 0.91 MAP4K1 (0.86) 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