SCHEMBL21368591

SCHEMBL21368591

N=C(CCCCc1nnc(NC(=O)CC2CCNCC2)s1)SC(=N)NC(=O)CC1CCNCC1

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 20/20 0.59

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
SCHEMBL21368592 0.89 GLS (0.53) GLS
SCHEMBL19920004 0.89 GLS (0.62) GLS
SCHEMBL14987262 0.85 GLS (0.82) GLS
SCHEMBL21368570 0.83 GLS (0.54) GLS
SCHEMBL16384868 0.82 GLS (0.78) GLS
SCHEMBL14987105 0.81 GLS (0.76) GLS
SCHEMBL19920149 0.79 GLS (0.56) GLS
SCHEMBL14987261 0.77 GLS (0.83) GLS
SCHEMBL14987276 0.77 GLS (0.78) GLS
SCHEMBL21484237 0.77 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 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
EP-2782570-B1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC (US) 2019-09-18 — — EP disclosed
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