SCHEMBL29696536

SCHEMBL29696536

Cc1cc2cc(-c3cncs3)cc(C(=O)NCc3c(F)cccc3C(F)(F)F)c2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CD38 P28907 15/20 1.00
▸ KLKB1 P03952 1/20 0.42
▸ CYP3A4 P08684 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ ROCK2 O75116 2/20 0.39
▸ ROCK1 Q13464 2/20 0.39
▸ EED O75530 2/20 0.38
▸ RBBP4 Q09028 2/20 0.38
▸ SUZ12 Q15022 2/20 0.38
▸ EZH2 Q15910 2/20 0.38
▸ AEBP2 Q6ZN18 2/20 0.38

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
SCHEMBL22936300 1.00 CD38 (1.00) CD38KLKB1CYP3A4KCNH2ROCK2
SCHEMBL31484487 0.87 CD38 (1.00) CD38KLKB1ROCK2ROCK1
SCHEMBL22932801 0.87 CD38 (1.00) CD38KLKB1ROCK2ROCK1
SCHEMBL22936235 0.83 CD38 (0.77) CD38KLKB1ROCK2ROCK1
SCHEMBL29696551 0.83 CD38 (0.77) CD38KLKB1ROCK2ROCK1
SCHEMBL23305439 0.80 CD38 (0.76) CD38KLKB1
SCHEMBL23329849 0.76 CD38 (0.64) CD38KLKB1CYP3A4KCNH2
SCHEMBL23305081 0.74 CD38 (0.58) CD38KLKB1ROCK2ROCK1
SCHEMBL22933159 0.73 CD38 (0.70) CD38KLKB1CYP3A4KCNH2ROCK2
SCHEMBL29696520 0.73 CD38 (0.70) CD38KLKB1CYP3A4KCNH2ROCK2

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