SCHEMBL25945487

SCHEMBL25945487

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

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 20/20 0.53

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
SCHEMBL25945474 0.91 MAP4K1 (0.64) MAP4K1
SCHEMBL25945458 0.87 MAP4K1 (0.63) MAP4K1
SCHEMBL21684711 0.85 MAP4K1 (0.65) MAP4K1
SCHEMBL21684707 0.85 MAP4K1 (0.65) MAP4K1
SCHEMBL21684712 0.85 MAP4K1 (0.65) MAP4K1
SCHEMBL21703372 0.84 MAP4K1 (0.75) MAP4K1
SCHEMBL30203453 0.84 MAP4K1 (0.75) MAP4K1
SCHEMBL28577884 0.84 MAP4K1 (0.75) MAP4K1
SCHEMBL28577885 0.84 MAP4K1 (0.75) MAP4K1
SCHEMBL25945189 0.83 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