SCHEMBL20373633

SCHEMBL20373633

O=C(Cc1ccccc1)Nc1nnc(NC2CCN(c3nccnn3)C2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 19/20 1.00
▸ KCNH2 Q12809 1/20 0.62

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
SCHEMBL20373637 0.86 GLS (1.00) GLSKCNH2
SCHEMBL17654173 0.84 GLS (1.00) GLS
SCHEMBL17664624 0.84 GLS (1.00) GLS
SCHEMBL17654174 0.84 GLS (1.00) GLS
SCHEMBL17296008 0.82 GLS (0.69) GLS
SCHEMBL22193574 0.82 GLS (0.89) GLSKCNH2
SCHEMBL17309264 0.80 GLS (1.00) GLS
SCHEMBL20357687 0.80 GLS (1.00) GLS
SCHEMBL17309208 0.80 GLS (1.00) GLS
SCHEMBL20373308 0.80 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 disclosed
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