SCHEMBL19920175

SCHEMBL19920175

CC(CNc1nnc(CCCCc2ccc(NC(=O)Cc3cccc(C(C)NC(=O)OC(C)(C)C)c3)nn2)s1)c1ccccc1

nearest known ligand 0.85

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GLS O94925 20/20 0.85

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
SCHEMBL14986972 0.92 GLS (1.00) GLS
SCHEMBL14987388 0.92 GLS (1.00) GLS
SCHEMBL14987712 0.90 GLS (1.00) GLS
SCHEMBL14987349 0.85 GLS (1.00) GLS
SCHEMBL15042387 0.85 GLS (1.00) GLS
SCHEMBL21369112 0.84 GLS (0.80) GLS
SCHEMBL15043829 0.83 GLS (1.00) GLS
SCHEMBL15042473 0.83 GLS (1.00) GLS
SCHEMBL16306821 0.83 GLS (0.87) GLS
SCHEMBL19754353 0.82 GLS (0.79) 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
WO-2018039442-A1 TREATMENT OF CANCER WITH INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES, INC. (US) 2018-03-01 WO disclosed