SCHEMBL19920051

SCHEMBL19920051

O=C(Cc1cc2ccccc2s1)Nc1nnc(CCSCCc2nnc(NC(O)Cc3cc4ccccc4s3)s2)s1

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
SCHEMBL14987160 0.91 GLS (1.00) GLS
SCHEMBL22031147 0.84 GLS (0.86) GLS
SCHEMBL20034338 0.83 GLS (1.00) GLS
SCHEMBL15043789 0.81 GLS (1.00) GLS
SCHEMBL22623513 0.77 GLS (0.81) GLS
SCHEMBL19919947 0.77 GLS (0.81) GLS
SCHEMBL19920147 0.76 GLS (0.82) GLS
SCHEMBL22623478 0.75 GLS (0.65) GLS
SCHEMBL14987195 0.73 GLS (1.00) GLS
SCHEMBL2640644 0.72 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 2 patents. 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
WO-2018039442-A1 TREATMENT OF CANCER WITH INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES, INC. (US) 2018-03-01 WO disclosed