SCHEMBL19920115

SCHEMBL19920115

N=C(CCCCc1nnc(NC(=O)Cc2cc3ccccc3s2)s1)SC(=N)NC(=O)Cc1cc2ccccc2s1

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GLS O94925 20/20 0.74

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
SCHEMBL15043789 0.86 GLS (1.00) GLS
SCHEMBL21368571 0.84 GLS (0.77) GLS
SCHEMBL15782779 0.83 GLS (0.78) GLS
SCHEMBL14987019 0.81 GLS (1.00) GLS
SCHEMBL15782611 0.80 GLS (1.00) GLS
SCHEMBL14987565 0.79 GLS (0.62) GLS
SCHEMBL14987160 0.79 GLS (1.00) GLS
SCHEMBL16384722 0.79 GLS (0.95) GLS
SCHEMBL16305204 0.78 GLS (0.75) GLS
SCHEMBL14987291 0.77 GLS (0.81) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3277276-B1 METHODS OF ADMINISTERING GLUTAMINASE INHIBITORS CALITHERA BIOSCIENCES INC (US) 2020-11-04 EP disclosed
WO-2018039442-A1 TREATMENT OF CANCER WITH INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES, INC. (US) 2018-03-01 WO disclosed