SCHEMBL25944283

SCHEMBL25944283

CN(C)C(=O)/C=C/CCCC(=O)Nc1cccn(Cc2nc3cc(F)ccc3n2Cc2ccc(F)cc2)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
SCHEMBL25944294 0.94 MAP4K1 (0.56) MAP4K1
SCHEMBL25943845 0.93 MAP4K1 (0.72) MAP4K1
SCHEMBL21703279 0.92 MAP4K1 (0.73) MAP4K1
SCHEMBL25943854 0.91 MAP4K1 (0.74) MAP4K1
SCHEMBL25943763 0.90 MAP4K1 (0.71) MAP4K1
SCHEMBL25943830 0.90 MAP4K1 (0.74) MAP4K1
SCHEMBL25943864 0.90 MAP4K1 (0.74) MAP4K1
SCHEMBL25943944 0.90 MAP4K1 (0.68) MAP4K1
SCHEMBL21685006 0.89 MAP4K1 (0.64) MAP4K1
SCHEMBL25943888 0.87 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-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS Sitari Pharma, Inc. (US) 2023-08-02 EP disclosed