SCHEMBL28722350

SCHEMBL28722350

COC(=O)c1cc(-c2cncs2)cc2nc(C)[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CD38 P28907 20/20 0.46

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
SCHEMBL29495224 1.00 CD38 (0.46) CD38
SCHEMBL29495257 0.87 CD38 (0.41) CD38
SCHEMBL28723076 0.82 CD38 (0.60) CD38
SCHEMBL29495250 0.82 CD38 (0.60) CD38
SCHEMBL22933157 0.79 CD38 (0.55) CD38
SCHEMBL28938328 0.78 CD38 (0.60) CD38
SCHEMBL29495183 0.78 CD38 (0.60) CD38
SCHEMBL22933156 0.77 CD38 (0.78) CD38
SCHEMBL28722981 0.77 CD38 (0.78) CD38
SCHEMBL28724583 0.76 MAPT (0.39) —

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
CN-114423753-A Heterobicyclic amides as CD38 inhibitors 里邦医疗公司 2022-04-29 — — CN disclosed
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