SCHEMBL21369006

SCHEMBL21369006

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

nearest known ligand 0.89

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GLS O94925 20/20 0.89

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
SCHEMBL14987029 0.94 GLS (1.00) GLS
SCHEMBL15042399 0.88 GLS (0.87) GLS
SCHEMBL21443341 0.88 GLS (0.91) GLS
SCHEMBL21466363 0.87 GLS (0.85) GLS
SCHEMBL21443376 0.86 GLS (0.88) GLS
SCHEMBL14977268 0.86 GLS (1.00) GLS
SCHEMBL21443421 0.86 GLS (0.68) GLS
SCHEMBL14987486 0.85 GLS (1.00) GLS
SCHEMBL14977152 0.85 GLS (0.82) GLS
SCHEMBL14977150 0.85 GLS (0.82) 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-2782570-B1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC (US) 2019-09-18 EP disclosed