SCHEMBL25940402

SCHEMBL25940402

CNc1cccn(Cc2nc3c(CC(C)(C)C)cc(OC)cc3n2C(=O)OC(C)(C)C)c1=O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 15/20 0.44
PTGER3 P43115 5/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL21703191 0.89 MAP4K1 (0.39) MAP4K1
SCHEMBL24859759 0.79 MAP4K1 (0.71) MAP4K1
SCHEMBL25940429 0.78 MAP4K1 (0.46) MAP4K1KDM4EALDH1A1
SCHEMBL21684418 0.78 MAP4K1 (0.47) MAP4K1
SCHEMBL21703189 0.76 MAP4K1 (0.41) MAP4K1
SCHEMBL21684437 0.75 MAP4K1 (0.44) MAP4K1ALDH1A1RECQL
SCHEMBL31304001 0.75 MAP4K1 (0.44) MAP4K1ALDH1A1RECQL
SCHEMBL21702990 0.74 MAP4K1 (0.41) MAP4K1
SCHEMBL25941865 0.74 MAP4K1 (0.52) MAP4K1
SCHEMBL25938622 0.72 MAP4K1 (0.49) 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