SCHEMBL20357655

SCHEMBL20357655

COc1cccc(C(OC)C(=O)Nc2nnc(N[C@@H]3CCN(c4nccnn4)C3)s2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 20/20 1.00

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
SCHEMBL17309236 1.00 GLS (1.00) GLS
SCHEMBL17309235 1.00 GLS (1.00) GLS
SCHEMBL20357768 0.93 GLS (1.00) GLS
SCHEMBL20373259 0.93 GLS (1.00) GLS
SCHEMBL17309189 0.93 GLS (1.00) GLS
SCHEMBL17309190 0.93 GLS (1.00) GLS
SCHEMBL17309180 0.93 GLS (1.00) GLS
SCHEMBL17309181 0.93 GLS (1.00) GLS
SCHEMBL18933611 0.92 GLS (1.00) GLS
SCHEMBL18890169 0.92 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-3148994-B1 1, 3, 4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2018-07-11 — — EP claimed
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