SCHEMBL25328591

SCHEMBL25328591

CC(C)(C)Cc1cccc2c1nc(Cn1cccc(NC(=O)[C@H](CC/C=C/C(N)=O)NC(=O)OC3CCOC3)c1=O)n2C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 20/20 0.49

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
SCHEMBL25328596 1.00 MAP4K1 (0.49) MAP4K1
SCHEMBL30467411 0.94 MAP4K1 (0.56) MAP4K1
SCHEMBL21683992 0.94 MAP4K1 (0.56) MAP4K1
SCHEMBL21683996 0.94 MAP4K1 (0.56) MAP4K1
SCHEMBL25329747 0.93 MAP4K1 (0.53) MAP4K1
SCHEMBL25329758 0.93 MAP4K1 (0.53) MAP4K1
SCHEMBL21684933 0.90 MAP4K1 (0.51) MAP4K1
SCHEMBL21684930 0.90 MAP4K1 (0.51) MAP4K1
SCHEMBL21684937 0.90 MAP4K1 (0.51) MAP4K1
SCHEMBL21684341 0.89 MAP4K1 (0.60) 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