SCHEMBL31484633

SCHEMBL31484633

COC(=O)c1cc(-c2cncs2)cc2ccn(C)c12

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CD38 P28907 11/20 0.45
▸ WNT1 P04628 6/20 0.39
▸ GSK3B P49841 6/20 0.39
▸ DYRK1A Q13627 6/20 0.39
▸ NR4A2 P43354 3/20 0.38

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
SCHEMBL31266736 0.77 MEN1 (0.46) CD38
SCHEMBL28938328 0.75 CD38 (0.60) CD38
SCHEMBL29495183 0.75 CD38 (0.60) CD38
SCHEMBL1785648 0.74 MEN1 (0.44) CD38
SCHEMBL29495250 0.73 CD38 (0.60) CD38WNT1GSK3BDYRK1A
SCHEMBL28723076 0.73 CD38 (0.60) CD38WNT1GSK3BDYRK1A
SCHEMBL2316248 0.72 KDM4E (0.44) NR4A2
SCHEMBL17113483 0.72 GAA (0.44) NR4A2
SCHEMBL30987649 0.71 HDAC4 (0.42) CD38WNT1GSK3BDYRK1ANR4A2
SCHEMBL27272859 0.71 HDAC4 (0.42) CD38WNT1GSK3BDYRK1ANR4A2

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-119431323-A Heterobicyclic amides as CD38 inhibitors 贝林格尔·英格海姆国际有限公司 2025-02-14 — — CN disclosed
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