SCHEMBL21368693

SCHEMBL21368693

CC1C=C(CC(=O)Nc2nnc(CCSCCc3nnc(NC(=O)Cc4cccc(F)c4)s3)s2)C=C(F)C1

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GLS O94925 20/20 0.72

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
SCHEMBL14987239 0.85 GLS (1.00) GLS
SCHEMBL20034332 0.80 GLS (0.88) GLS
SCHEMBL22623415 0.79 GLS (0.46) GLS
SCHEMBL14987029 0.76 GLS (1.00) GLS
SCHEMBL15043818 0.75 GLS (1.00) GLS
SCHEMBL19919992 0.74 GLS (0.62) GLS
SCHEMBL21369006 0.74 GLS (0.89) GLS
SCHEMBL19919994 0.74 GLS (0.59) GLS
SCHEMBL15043823 0.73 GLS (1.00) GLS
SCHEMBL14987244 0.73 GLS (1.00) 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