SCHEMBL29495183

SCHEMBL29495183

COC(=O)c1cc(-c2cncs2)cc2cc[nH]c12

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CD38 P28907 12/20 0.60
▸ IKBKB O14920 6/20 0.46
▸ CHUK O15111 6/20 0.46
▸ CDK8 P49336 1/20 0.40
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39

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
SCHEMBL28938328 1.00 CD38 (0.60) CD38IKBKBCHUKCDK8CYP11B1
SCHEMBL29495213 0.85 CD38 (0.54) CD38IKBKBCHUK
SCHEMBL23306003 0.81 CD38 (0.62) CD38
SCHEMBL29495250 0.81 CD38 (0.60) CD38
SCHEMBL28723076 0.81 CD38 (0.60) CD38
SCHEMBL31036800 0.80 CD38 (0.82) CD38
SCHEMBL31266736 0.78 MEN1 (0.46) CD38
SCHEMBL28722350 0.78 CD38 (0.46) CD38
SCHEMBL29495224 0.78 CD38 (0.46) CD38
SCHEMBL22936248 0.77 CD38 (0.71) CD38

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 3 patents. 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
CN-114423753-B Heterobicyclic amides as CD38 inhibitors 里邦医疗公司 2024-09-17 — — CN disclosed
CN-114423753-A Heterobicyclic amides as CD38 inhibitors 里邦医疗公司 2022-04-29 — — CN disclosed
Send feedback