SCHEMBL21368616

SCHEMBL21368616

COc1ccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(O)Cc4ccccc4)nn3)s2)cc1F

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GLS O94925 20/20 0.82

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
SCHEMBL14987338 0.90 GLS (1.00) GLS
SCHEMBL21484494 0.85 GLS (0.79) GLS
SCHEMBL21466330 0.85 GLS (0.81) GLS
SCHEMBL21484399 0.85 GLS (0.80) GLS
SCHEMBL21368949 0.84 GLS (0.79) GLS
SCHEMBL22623416 0.84 GLS (0.83) GLS
SCHEMBL20034544 0.84 GLS (0.80) GLS
SCHEMBL15042468 0.84 GLS (1.00) GLS
SCHEMBL15042463 0.84 GLS (1.00) GLS
SCHEMBL21484398 0.84 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 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