SCHEMBL31484487

SCHEMBL31484487

O=C(NCc1c(F)cccc1C(F)(F)F)c1cc(-c2cncs2)cc2cc[nH]c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CD38 P28907 14/20 1.00
▸ KLKB1 P03952 3/20 0.39
▸ ROCK2 O75116 2/20 0.38
▸ ROCK1 Q13464 2/20 0.38
▸ TNIK Q9UKE5 1/20 0.37

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
SCHEMBL22932801 1.00 CD38 (1.00) CD38KLKB1ROCK2ROCK1TNIK
SCHEMBL22936300 0.87 CD38 (1.00) CD38KLKB1ROCK2ROCK1
SCHEMBL29696536 0.87 CD38 (1.00) CD38KLKB1ROCK2ROCK1
SCHEMBL23305439 0.86 CD38 (0.76) CD38KLKB1
SCHEMBL22936235 0.86 CD38 (0.77) CD38KLKB1ROCK2ROCK1
SCHEMBL29696551 0.86 CD38 (0.77) CD38KLKB1ROCK2ROCK1
SCHEMBL29495266 0.83 CD38 (0.70) CD38KLKB1
SCHEMBL28722468 0.83 CD38 (0.70) CD38KLKB1
SCHEMBL22932675 0.80 CD38 (1.00) CD38KLKB1
SCHEMBL29494891 0.80 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 2 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 claimed
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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