SCHEMBL25945647

SCHEMBL25945647

O=CNc1cccn(Cc2cc3cc(F)cc(OCc4ccc(F)cc4F)c3[nH]2)c1=O

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 15/20 0.59
MAPK14 Q16539 5/20 0.43

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
SCHEMBL25945213 0.94 MAP4K1 (0.56) MAP4K1MAPK14
SCHEMBL25945681 0.90 MAP4K1 (0.61) MAP4K1MAPK14
SCHEMBL25942449 0.83 MAP4K1 (0.45) MAP4K1MAPK14
SCHEMBL21684927 0.80 MAP4K1 (0.63) MAP4K1
SCHEMBL25945458 0.80 MAP4K1 (0.63) MAP4K1
SCHEMBL25945082 0.79 MAP4K1 (0.51) MAP4K1MAPK14
SCHEMBL21684284 0.79 MAP4K1 (0.76) MAP4K1
SCHEMBL25948635 0.78 MAP4K1 (0.46) MAP4K1MAPK14
SCHEMBL25948643 0.78 MAP4K1 (0.46) MAP4K1MAPK14
SCHEMBL21685395 0.78 MAP4K1 (0.75) 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