SCHEMBL25945867

SCHEMBL25945867

CNC(=O)/C=C/CCCC(=O)Nc1cccn(Cc2cc3cc(F)cc(CCC(F)(F)F)c3[nH]2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 20/20 0.49

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
SCHEMBL25945823 0.89 MAP4K1 (0.40) MAP4K1
SCHEMBL21684703 0.83 MAP4K1 (0.72) MAP4K1
SCHEMBL21684705 0.83 MAP4K1 (0.72) MAP4K1
SCHEMBL21684704 0.83 MAP4K1 (0.72) MAP4K1
SCHEMBL31450553 0.83 MAP4K1 (0.54) MAP4K1
SCHEMBL25944793 0.81 MAP4K1 (0.60) MAP4K1
SCHEMBL25945495 0.81 MAP4K1 (0.63) MAP4K1
SCHEMBL21683726 0.81 MAP4K1 (0.53) MAP4K1
SCHEMBL25945858 0.81 MAP4K1 (0.73) MAP4K1
SCHEMBL25945992 0.80 MAP4K1 (0.53) 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