SCHEMBL21703283

SCHEMBL21703283

CN(C)C(=O)/C=C/CCCC(=O)Nc1cccn(Cc2nc3c(CC4CC4)cccc3n2C(=O)OC(C)(C)C)c1=O

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 20/20 0.57

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
SCHEMBL25941711 0.92 MAP4K1 (0.48) MAP4K1
SCHEMBL25940502 0.91 MAP4K1 (0.58) MAP4K1
SCHEMBL25530729 0.90 MAP4K1 (0.62) MAP4K1
SCHEMBL23453185 0.86 MAP4K1 (0.77) MAP4K1
SCHEMBL25939376 0.85 MAP4K1 (0.73) MAP4K1
SCHEMBL25941856 0.82 MAP4K1 (0.63) MAP4K1
SCHEMBL25940940 0.82 MAP4K1 (0.62) MAP4K1
SCHEMBL25938310 0.82 MAP4K1 (0.52) MAP4K1
SCHEMBL25939420 0.81 MAP4K1 (0.74) MAP4K1
SCHEMBL25941682 0.81 MAP4K1 (0.46) 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
WO-2020033784-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC. (US) 2020-02-13 WO disclosed