SCHEMBL25948919

SCHEMBL25948919

CN(C)C(=O)/C=C/CCCC(=O)Nc1cccn(Cc2nc3c(OCc4ccccc4)ncnc3[nH]2)c1=O

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 20/20 0.63

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
SCHEMBL25938879 0.89 MAP4K1 (0.53) MAP4K1
SCHEMBL25948820 0.88 MAP4K1 (0.62) MAP4K1
SCHEMBL25948928 0.87 MAP4K1 (0.65) MAP4K1
SCHEMBL21703229 0.85 MAP4K1 (0.62) MAP4K1
SCHEMBL25942012 0.84 MAP4K1 (0.56) MAP4K1
SCHEMBL21684262 0.84 MAP4K1 (0.87) MAP4K1
SCHEMBL21684259 0.84 MAP4K1 (0.87) MAP4K1
SCHEMBL31450516 0.84 MAP4K1 (0.87) MAP4K1
SCHEMBL25948627 0.84 MAP4K1 (0.61) MAP4K1
SCHEMBL25948811 0.84 MAP4K1 (0.65) 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