SCHEMBL21703399

SCHEMBL21703399

CC(C)Cc1cccc2nc(Cn3c(Cl)ccc(NC(=O)CCC/C=C/C(=O)N(C)C)c3=O)[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 20/20 0.46

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
SCHEMBL21703107 0.92 MAP4K1 (0.46) MAP4K1
SCHEMBL21703480 0.91 MAP4K1 (0.56) MAP4K1
SCHEMBL25939274 0.87 MAP4K1 (0.60) MAP4K1
SCHEMBL21703323 0.86 MAP4K1 (0.41) MAP4K1
SCHEMBL21683989 0.85 MAP4K1 (0.62) MAP4K1
SCHEMBL21683988 0.85 MAP4K1 (0.62) MAP4K1
SCHEMBL21683991 0.85 MAP4K1 (0.62) MAP4K1
SCHEMBL31450391 0.84 MAP4K1 (0.47) MAP4K1
SCHEMBL21703345 0.82 MAP4K1 (0.57) MAP4K1
SCHEMBL21702971 0.78 MAP4K1 (0.55) 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