SCHEMBL25945495

SCHEMBL25945495

CNC(=O)/C=C/CCCC(=O)Nc1cccn(Cc2cc3cc(F)cc(OCc4ccc(F)cc4F)c3[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
SCHEMBL25945458 0.92 MAP4K1 (0.63) MAP4K1
SCHEMBL25945558 0.91 MAP4K1 (0.75) MAP4K1
SCHEMBL25945522 0.89 MAP4K1 (0.74) MAP4K1
SCHEMBL25942137 0.88 MAP4K1 (0.52) MAP4K1
SCHEMBL25945175 0.87 MAP4K1 (0.60) MAP4K1
SCHEMBL25945086 0.87 MAP4K1 (0.72) MAP4K1
SCHEMBL21684198 0.86 MAP4K1 (0.74) MAP4K1
SCHEMBL21684199 0.86 MAP4K1 (0.74) MAP4K1
SCHEMBL21684195 0.86 MAP4K1 (0.74) MAP4K1
SCHEMBL23452820 0.85 MAP4K1 (0.82) 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