SCHEMBL25945858

SCHEMBL25945858

CNC(=O)/C=C/CCCC(=O)Nc1cccn(Cc2cc3cc(F)cc(CCC(F)(F)F)c3n2C(=O)OC(C)(C)C)c1=O

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 20/20 0.73

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
SCHEMBL25945832 0.91 MAP4K1 (0.62) MAP4K1
SCHEMBL21702926 0.89 MAP4K1 (0.60) MAP4K1
SCHEMBL21703376 0.85 MAP4K1 (1.00) MAP4K1
SCHEMBL30203327 0.85 MAP4K1 (1.00) MAP4K1
SCHEMBL25945490 0.84 MAP4K1 (0.77) MAP4K1
SCHEMBL25945981 0.83 MAP4K1 (0.60) MAP4K1
SCHEMBL25945534 0.82 MAP4K1 (0.77) MAP4K1
SCHEMBL25945867 0.81 MAP4K1 (0.49) MAP4K1
SCHEMBL25945676 0.81 MAP4K1 (0.62) MAP4K1
SCHEMBL25946127 0.80 MAP4K1 (0.61) 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