SCHEMBL25947432

SCHEMBL25947432

CN(C)C(=O)/C=C/CC[C@H](NC(=O)CO)C(=O)Nc1cccn(Cc2nc3cccc(OCc4ccc(F)cc4F)c3s2)c1=O

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 20/20 0.70

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
SCHEMBL21685379 0.95 MAP4K1 (0.70) MAP4K1
SCHEMBL21685377 0.95 MAP4K1 (0.70) MAP4K1
SCHEMBL21685374 0.95 MAP4K1 (0.70) MAP4K1
SCHEMBL21685190 0.94 MAP4K1 (0.70) MAP4K1
SCHEMBL21685188 0.94 MAP4K1 (0.70) MAP4K1
SCHEMBL28916747 0.94 MAP4K1 (0.79) MAP4K1
SCHEMBL21703335 0.94 MAP4K1 (0.79) MAP4K1
SCHEMBL28916743 0.94 MAP4K1 (0.79) MAP4K1
SCHEMBL23452833 0.92 MAP4K1 (0.74) MAP4K1
SCHEMBL21684520 0.92 MAP4K1 (0.67) 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