SCHEMBL29495266

SCHEMBL29495266

O=C(NCc1c(F)cccc1C(F)(F)F)c1cc(I)cc2cc[nH]c12

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CD38 P28907 15/20 0.70
▸ KLKB1 P03952 4/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ MAPK14 Q16539 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
SCHEMBL28722468 1.00 CD38 (0.70) CD38KLKB1CYP3A4KCNH2MAPK14
SCHEMBL31484487 0.83 CD38 (1.00) CD38KLKB1
SCHEMBL22932801 0.83 CD38 (1.00) CD38KLKB1
SCHEMBL29696562 0.82 CD38 (0.66) CD38KLKB1CYP3A4KCNH2
SCHEMBL22932793 0.81 CD38 (1.00) CD38KLKB1
SCHEMBL29696514 0.81 CD38 (1.00) CD38KLKB1
SCHEMBL22946899 0.74 CD38 (1.00) CD38KLKB1
SCHEMBL29696427 0.74 CD38 (1.00) CD38KLKB1
SCHEMBL24094008 0.72 HPGD (0.52) CD38KLKB1MAPK14
SCHEMBL22932675 0.70 CD38 (1.00) CD38KLKB1

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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