SCHEMBL32679933

SCHEMBL32679933

CCn1c(=O)[nH]nc(N[C@@H]2CCCN(Cc3ccccc3)C2)c1=O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KAT2B Q92831 9/20 0.54
▸ ROCK2 O75116 5/20 0.52
▸ ROCK1 Q13464 2/20 0.52
▸ CCR2 P41597 1/20 0.48
▸ EHMT2 Q96KQ7 2/20 0.45
▸ JAK2 O60674 2/20 0.44
▸ JAK3 P52333 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL30080168 0.86 NLRP3 (0.45) KAT2BROCK2ROCK1
SCHEMBL32679929 0.83 KAT2B (0.57) KAT2BROCK2ROCK1CCR2EHMT2
SCHEMBL27171797 0.83 KAT2B (0.55) KAT2BROCK2ROCK1CCR2EHMT2
SCHEMBL12846292 0.79 ROCK2 (0.56) KAT2BROCK2ROCK1CCR2EHMT2
SCHEMBL27171747 0.78 NLRP3 (0.53) KAT2BROCK2ROCK1
SCHEMBL27171848 0.77 ROCK2 (0.49) KAT2BROCK2ROCK1CCR2EHMT2
SCHEMBL32679924 0.76 PDE5A (0.49) KAT2BROCK2ROCK1CCR2EHMT2
SCHEMBL31310524 0.75 KAT2B (0.63) KAT2BROCK2ROCK1CCR2EHMT2
SCHEMBL5870954 0.74 ROCK2 (0.65) KAT2BROCK2ROCK1CCR2CYP3A4
Trifluoromethanesulfonic Acid SCHEMBL27171746 0.74 NLRP3 (0.46) KAT2B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-121586712-A Novel compounds 豪夫迈·罗氏有限公司 2026-02-27 — — CN disclosed
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