SCHEMBL21443341

SCHEMBL21443341

CNc1nnc(CCCCc2nnc(NC(=O)Cc3cccc(C)c3)s2)s1

nearest known ligand 0.91

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GLS O94925 20/20 0.91

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
SCHEMBL15043830 0.95 GLS (1.00) GLS
SCHEMBL21369006 0.88 GLS (0.89) GLS
SCHEMBL21443376 0.87 GLS (0.88) GLS
SCHEMBL19920415 0.86 GLS (0.82) GLS
SCHEMBL15043818 0.85 GLS (1.00) GLS
SCHEMBL15042366 0.85 GLS (0.79) GLS
SCHEMBL14987659 0.83 GLS (1.00) GLS
SCHEMBL15042444 0.83 GLS (0.83) GLS
SCHEMBL15042462 0.82 GLS (1.00) GLS
SCHEMBL21443421 0.82 GLS (0.68) 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