SCHEMBL25945522

SCHEMBL25945522

O=C(CCC/C=C/C(=O)N1CCCC1)Nc1cccn(Cc2cc3cc(F)cc(OCc4ccc(F)cc4F)c3[nH]2)c1=O

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 20/20 0.74

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
SCHEMBL21685395 0.90 MAP4K1 (0.75) MAP4K1
SCHEMBL25945458 0.90 MAP4K1 (0.63) MAP4K1
SCHEMBL25945495 0.89 MAP4K1 (0.63) MAP4K1
SCHEMBL25945558 0.88 MAP4K1 (0.75) MAP4K1
SCHEMBL21683562 0.86 MAP4K1 (0.89) MAP4K1
SCHEMBL21683564 0.86 MAP4K1 (0.89) MAP4K1
SCHEMBL21683568 0.86 MAP4K1 (0.89) MAP4K1
SCHEMBL25945175 0.85 MAP4K1 (0.60) MAP4K1
SCHEMBL28596394 0.85 MAP4K1 (1.00) MAP4K1
SCHEMBL31450694 0.85 MAP4K1 (1.00) 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