SCHEMBL21703412

SCHEMBL21703412

CC(C)Cc1cccc2nc(Cn3cccc(NC(=O)CCC/C=C/C(=O)N(C)C)c3=O)oc12

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 20/20 0.58

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
SCHEMBL25946874 0.89 MAP4K1 (0.72) MAP4K1
SCHEMBL25946858 0.89 MAP4K1 (0.45) MAP4K1
SCHEMBL21684170 0.85 MAP4K1 (0.71) MAP4K1
SCHEMBL21684176 0.85 MAP4K1 (0.71) MAP4K1
SCHEMBL21684173 0.85 MAP4K1 (0.71) MAP4K1
SCHEMBL21703319 0.84 MAP4K1 (0.54) MAP4K1
SCHEMBL25939274 0.84 MAP4K1 (0.60) MAP4K1
SCHEMBL23453102 0.84 MAP4K1 (0.82) MAP4K1
SCHEMBL28584320 0.84 MAP4K1 (0.82) MAP4K1
SCHEMBL28584321 0.84 MAP4K1 (0.82) 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 2 patents. 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
WO-2020033784-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC. (US) 2020-02-13 WO disclosed