SCHEMBL29495257

SCHEMBL29495257

Cc1nc2cc(-c3cncs3)cc(C(=O)O)c2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CD38 P28907 8/20 0.41
▸ DHODH Q02127 10/20 0.39
▸ HSP90AA1 P07900 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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 0.87 CD38 (0.46) CD38
SCHEMBL28722350 0.87 CD38 (0.46) CD38
SCHEMBL29495216 0.81 CD38 (0.56) CD38DHODH
SCHEMBL22933157 0.80 CD38 (0.55) CD38
SCHEMBL21974418 0.76 DHODH (0.60) DHODHHSP90AA1ESR2TDP1
SCHEMBL29495213 0.74 CD38 (0.54) CD38
SCHEMBL22933156 0.73 CD38 (0.78) CD38
SCHEMBL28722981 0.73 CD38 (0.78) CD38
SCHEMBL27185599 0.70 HSP90AA1 (0.41) DHODHHSP90AA1ESR2TDP1
SCHEMBL2658150 0.69 KDM4E (0.46) DHODHHSP90AA1ESR2TDP1

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
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