SCHEMBL19920088

SCHEMBL19920088

CC(C)(C)OC(=O)N1CCC(CC(=O)NC(=N)SC(N)CCSCCc2nnc(NC(=O)CC3CCN(C(=O)OC(C)(C)C)CC3)s2)CC1

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 20/20 0.75

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
SCHEMBL19920086 0.92 GLS (0.78) GLS
SCHEMBL21368930 0.91 GLS (0.73) GLS
SCHEMBL14987544 0.87 GLS (1.00) GLS
SCHEMBL14987105 0.79 GLS (0.76) GLS
SCHEMBL14987280 0.79 GLS (0.80) GLS
SCHEMBL15043773 0.79 GLS (1.00) GLS
SCHEMBL15043819 0.79 GLS (1.00) GLS
SCHEMBL18122440 0.76 GLS (0.77) GLS
SCHEMBL22623554 0.75 GLS (0.59) GLS
SCHEMBL14987276 0.73 GLS (0.78) 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 3 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
EP-2782570-B1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC (US) 2019-09-18 — — EP disclosed
WO-2018039442-A1 TREATMENT OF CANCER WITH INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES, INC. (US) 2018-03-01 — — WO disclosed
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