SCHEMBL25940429

SCHEMBL25940429

CC(C)(C)Cc1cccc2c1nc(Cn1cccc(NC=O)c1=O)n2C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 19/20 0.46
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL25938521 0.90 MAP4K1 (0.49) MAP4K1
SCHEMBL25941682 0.89 MAP4K1 (0.46) MAP4K1KDM4EALDH1A1
SCHEMBL21703189 0.86 MAP4K1 (0.41) MAP4K1
SCHEMBL25938563 0.80 MAP4K1 (0.63) MAP4K1
SCHEMBL25940502 0.80 MAP4K1 (0.58) MAP4K1
SCHEMBL25940402 0.78 MAP4K1 (0.44) MAP4K1KDM4EALDH1A1
SCHEMBL23453053 0.78 MAP4K1 (0.68) MAP4K1
SCHEMBL23452737 0.77 MAP4K1 (0.79) MAP4K1
SCHEMBL21685654 0.76 MAP4K1 (0.45) MAP4K1
SCHEMBL21702927 0.74 MAP4K1 (0.41) 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