SCHEMBL25938868

SCHEMBL25938868

CC(C)=Cc1nc(C)cc2[nH]c(Cn3cccc(NC(=O)CCC/C=C/C(=O)N(C)C)c3=O)nc12

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 20/20 0.59

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
SCHEMBL25938767 0.89 MAP4K1 (0.73) MAP4K1
SCHEMBL21685177 0.87 MAP4K1 (0.72) MAP4K1
SCHEMBL21685169 0.87 MAP4K1 (0.72) MAP4K1
SCHEMBL21685173 0.87 MAP4K1 (0.72) MAP4K1
SCHEMBL25938865 0.86 MAP4K1 (0.58) MAP4K1
SCHEMBL21703229 0.86 MAP4K1 (0.62) MAP4K1
SCHEMBL28582082 0.85 MAP4K1 (0.82) MAP4K1
SCHEMBL28582080 0.85 MAP4K1 (0.82) MAP4K1
SCHEMBL21703242 0.85 MAP4K1 (0.82) MAP4K1
SCHEMBL25938749 0.83 MAP4K1 (0.58) 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