SCHEMBL25944771

SCHEMBL25944771

CC(C)Cc1cccc2cc(Cn3cccc(NC(=O)CCC/C=C/C(=O)N(C)C)c3=O)n(C(=O)OC(C)(C)C)c12

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 20/20 0.76

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
SCHEMBL25945534 0.92 MAP4K1 (0.77) MAP4K1
SCHEMBL25944736 0.90 MAP4K1 (0.62) MAP4K1
SCHEMBL21702975 0.89 MAP4K1 (0.76) MAP4K1
SCHEMBL25947809 0.86 MAP4K1 (0.68) MAP4K1
SCHEMBL21703349 0.86 MAP4K1 (1.00) MAP4K1
SCHEMBL30203268 0.86 MAP4K1 (1.00) MAP4K1
SCHEMBL30203733 0.85 MAP4K1 (1.00) MAP4K1
SCHEMBL21703206 0.85 MAP4K1 (1.00) MAP4K1
SCHEMBL30203688 0.85 MAP4K1 (0.88) MAP4K1
SCHEMBL25530729 0.85 MAP4K1 (0.62) 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