SCHEMBL21443539

SCHEMBL21443539

CNc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccn3)s2)s1

nearest known ligand 0.89

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GLS O94925 20/20 0.89

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
SCHEMBL14987580 0.94 GLS (1.00) GLS
SCHEMBL14987033 0.89 GLS (1.00) GLS
SCHEMBL15727748 0.89 GLS (0.90) GLS
SCHEMBL21443480 0.88 GLS (0.86) GLS
SCHEMBL21466325 0.88 GLS (0.86) GLS
SCHEMBL19920374 0.87 GLS (0.84) GLS
SCHEMBL19754347 0.85 GLS (0.87) GLS
SCHEMBL19919947 0.85 GLS (0.81) GLS
SCHEMBL15043820 0.85 GLS (1.00) GLS
SCHEMBL21443368 0.84 GLS (0.88) GLS

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-2922832-B1 GLUTAMINASE INHIBITORS AND METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2019-10-09 EP disclosed