SCHEMBL21703343

SCHEMBL21703343

CN(C)C(=O)/C=C/CCCC(=O)Nc1nccn(Cc2cc3cc(F)ccc3n2C(=O)OC(C)(C)C)c1=O

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 20/20 0.55

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
SCHEMBL25944481 0.88 MAP4K1 (0.69) MAP4K1
SCHEMBL25946459 0.86 MAP4K1 (0.56) MAP4K1
SCHEMBL21683912 0.86 MAP4K1 (0.70) MAP4K1
SCHEMBL21683910 0.86 MAP4K1 (0.70) MAP4K1
SCHEMBL25946127 0.86 MAP4K1 (0.61) MAP4K1
SCHEMBL30203369 0.86 MAP4K1 (0.70) MAP4K1
SCHEMBL25946471 0.84 MAP4K1 (0.58) MAP4K1
SCHEMBL25946450 0.84 MAP4K1 (0.56) MAP4K1
SCHEMBL25946494 0.83 MAP4K1 (0.58) MAP4K1
SCHEMBL25946463 0.83 MAP4K1 (0.59) 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