SCHEMBL25530729

SCHEMBL25530729

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

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 20/20 0.62

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
SCHEMBL25940502 0.92 MAP4K1 (0.58) MAP4K1
SCHEMBL25938310 0.92 MAP4K1 (0.52) MAP4K1
SCHEMBL21703283 0.90 MAP4K1 (0.57) MAP4K1
SCHEMBL21683850 0.87 MAP4K1 (0.78) MAP4K1
SCHEMBL21703222 0.87 MAP4K1 (0.76) MAP4K1
SCHEMBL21683854 0.87 MAP4K1 (0.78) MAP4K1
SCHEMBL21683851 0.87 MAP4K1 (0.78) MAP4K1
SCHEMBL21702956 0.87 MAP4K1 (0.75) MAP4K1
SCHEMBL30467336 0.87 MAP4K1 (0.78) MAP4K1
SCHEMBL25938464 0.87 MAP4K1 (0.63) 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-3833348-B1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA INC (US) 2023-05-31 EP disclosed