SCHEMBL23069408

SCHEMBL23069408

COc1ccc(C#N)cc1-c1nnc(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)O)C2)o1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 2/20 0.39
▸ HCRTR2 O43614 2/20 0.37
▸ UGCG Q16739 1/20 0.36
▸ EGLN1 Q9GZT9 1/20 0.36
▸ GPR6 P46095 1/20 0.36
▸ KDM1A O60341 2/20 0.36
▸ TLR9 Q9NR96 1/20 0.35
▸ TLR8 Q9NR97 1/20 0.35
▸ TLR7 Q9NYK1 1/20 0.35
▸ MMP2 P08253 2/20 0.35
▸ ANPEP P15144 2/20 0.35
▸ ACKR3 P25106 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ MALT1 Q9UDY8 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
SCHEMBL23069494 0.89 CTSL (0.44) LRRK2UGCGEGLN1GPR6KDM1A
SCHEMBL29158564 0.89 LRRK2 (0.37) LRRK2HCRTR2UGCGEGLN1GPR6
SCHEMBL29470224 0.89 LRRK2 (0.37) LRRK2HCRTR2UGCGEGLN1GPR6
SCHEMBL23085845 0.89 LRRK2 (0.37) LRRK2HCRTR2UGCGEGLN1GPR6
SCHEMBL29158567 0.89 LRRK2 (0.37) LRRK2HCRTR2UGCGEGLN1GPR6
SCHEMBL23069404 0.89 LRRK2 (0.36) LRRK2UGCGEGLN1GPR6KDM1A
SCHEMBL29546047 0.89 LRRK2 (0.36) LRRK2UGCGEGLN1GPR6KDM1A
SCHEMBL23069418 0.83 USP30 (0.42) LRRK2HCRTR2
SCHEMBL23069421 0.81 LRRK2 (0.39) LRRK2UGCGEGLN1KDM1ATLR9
SCHEMBL23069425 0.81 USP30 (0.39) LRRK2UGCGEGLN1GPR6KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4025573-A1 SUBSTITUTED CYANOPYRROLIDINES WITH ACTIVITY AS USP30 INHIBITORS Mission Therapeutics Limited (GB) 2022-07-13 — — EP disclosed
CN-114341133-A Substituted cyanopyrrolidines with USP30 inhibitor activity 特殊治疗有限公司 2022-04-12 — — CN disclosed
WO-2021043870-A1 SUBSTITUTED CYANOPYRROLIDINES WITH ACTIVITY AS USP30 INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2021-03-11 — — WO disclosed
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