SCHEMBL29495195

SCHEMBL29495195

O=C(O)c1nc(-c2cncs2)cc2nc[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CD38 P28907 7/20 0.38
▸ MYC P01106 1/20 0.34
▸ AR P10275 1/20 0.34
▸ PIM1 P11309 2/20 0.33
▸ CYP2C19 P33261 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ WNT1 P04628 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ CHEK1 O14757 1/20 0.31
▸ CHEK2 O96017 1/20 0.31
▸ IMPDH2 P12268 1/20 0.31
▸ GRIN2B Q13224 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ DAO P14920 1/20 0.30

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
SCHEMBL28723107 0.82 CD38 (0.42) CD38HSD17B10KDM4EALDH1A1HPGD
SCHEMBL29495231 0.80 CD38 (0.54) CD38MYCARPIM1CHEK1
SCHEMBL28938321 0.72 CD38 (0.77) CD38
SCHEMBL22947027 0.72 CD38 (0.77) CD38
SCHEMBL29696520 0.72 CD38 (0.70) CD38
SCHEMBL22933159 0.72 CD38 (0.70) CD38
SCHEMBL29495219 0.71 CD38 (0.55) CD38CHEK1CHEK2ALDH1A1
SCHEMBL31484704 0.70 CHEK1 (0.43) CD38MYCCHEK1CHEK2
SCHEMBL29696530 0.68 CD38 (0.53) CD38MYCPIM1CHEK1CHEK2
SCHEMBL29495260 0.68 CD38 (0.54) CD38MYCARPIM1HSD17B10

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 4 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
EP-4003980-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 Ribon Therapeutics Inc. (US) 2022-06-01 — — EP disclosed
CN-114423753-A Heterobicyclic amides as CD38 inhibitors 里邦医疗公司 2022-04-29 — — CN disclosed
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