SCHEMBL25943010

SCHEMBL25943010

CN(C)C(=O)/C=C/CCCC(=O)Nc1cccn(Cc2nc3cccc(C(O)C(C)(C)C)c3[nH]2)c1=O

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 20/20 0.55

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
SCHEMBL25943141 0.92 MAP4K1 (0.54) MAP4K1
SCHEMBL25943003 0.90 MAP4K1 (0.43) MAP4K1
SCHEMBL25940477 0.88 MAP4K1 (0.55) MAP4K1
SCHEMBL21685469 0.87 MAP4K1 (0.57) MAP4K1
SCHEMBL21685471 0.87 MAP4K1 (0.57) MAP4K1
SCHEMBL21684860 0.86 MAP4K1 (0.64) MAP4K1
SCHEMBL21684857 0.86 MAP4K1 (0.64) MAP4K1
SCHEMBL25939274 0.85 MAP4K1 (0.60) MAP4K1
SCHEMBL21703235 0.84 MAP4K1 (0.75) MAP4K1
SCHEMBL21703184 0.84 MAP4K1 (0.72) 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