SCHEMBL25945474

SCHEMBL25945474

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

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 20/20 0.64

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
SCHEMBL25945189 0.93 MAP4K1 (0.74) MAP4K1
SCHEMBL25945487 0.91 MAP4K1 (0.53) MAP4K1
SCHEMBL25945558 0.88 MAP4K1 (0.75) MAP4K1
SCHEMBL21703173 0.88 MAP4K1 (0.56) MAP4K1
SCHEMBL21683760 0.86 MAP4K1 (0.78) MAP4K1
SCHEMBL21683758 0.86 MAP4K1 (0.78) MAP4K1
SCHEMBL21683756 0.86 MAP4K1 (0.78) MAP4K1
SCHEMBL28916068 0.85 MAP4K1 (0.88) MAP4K1
SCHEMBL31450739 0.85 MAP4K1 (0.88) MAP4K1
SCHEMBL28916067 0.85 MAP4K1 (0.88) 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