SCHEMBL29696520

SCHEMBL29696520

O=C(NCc1c(F)cccc1C(F)(F)F)c1nc(-c2cncs2)cc2nc[nH]c12

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CD38 P28907 16/20 0.70
▸ YTHDC1 Q96MU7 1/20 0.39
▸ KLKB1 P03952 2/20 0.38
▸ ROCK2 O75116 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ KCNH2 Q12809 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
SCHEMBL22933159 1.00 CD38 (0.70) CD38YTHDC1KLKB1ROCK2CYP3A4
SCHEMBL29696551 0.86 CD38 (0.77) CD38YTHDC1KLKB1ROCK2
SCHEMBL22936235 0.86 CD38 (0.77) CD38YTHDC1KLKB1ROCK2
SCHEMBL29494891 0.82 CD38 (1.00) CD38YTHDC1KLKB1
SCHEMBL22932675 0.82 CD38 (1.00) CD38YTHDC1KLKB1
SCHEMBL22932801 0.76 CD38 (1.00) CD38KLKB1ROCK2
SCHEMBL31484487 0.76 CD38 (1.00) CD38KLKB1ROCK2
SCHEMBL22946897 0.76 CD38 (1.00) CD38KLKB1
SCHEMBL30142564 0.76 CD38 (1.00) CD38KLKB1
SCHEMBL22936300 0.73 CD38 (1.00) CD38KLKB1ROCK2CYP3A4KCNH2

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 disclosed
EP-4003980-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 Ribon Therapeutics Inc. (US) 2022-06-01 — — EP disclosed
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