SCHEMBL29158564

SCHEMBL29158564

COc1ccc(C#N)cc1-c1nnc(C(=O)NC2CC(C)N(C(=O)OC(C)(C)C)C2)o1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.37
▸ KDM4D Q6B0I6 1/20 0.37
▸ NSD2 O96028 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ GPR119 Q8TDV5 4/20 0.36
▸ AR P10275 1/20 0.36
▸ UGCG Q16739 1/20 0.36
▸ GPR6 P46095 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ MALT1 Q9UDY8 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ USP30 Q70CQ3 1/20 0.34
▸ EGLN1 Q9GZT9 1/20 0.34

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
SCHEMBL23085845 1.00 LRRK2 (0.37) LRRK2KDM4DNSD2CTSSCTSK
SCHEMBL29470224 1.00 LRRK2 (0.37) LRRK2KDM4DNSD2CTSSCTSK
SCHEMBL29158567 1.00 LRRK2 (0.37) LRRK2KDM4DNSD2CTSSCTSK
SCHEMBL30798694 0.90 CTSS (0.36) LRRK2KDM4DNSD2CTSSCTSK
SCHEMBL23085662 0.90 CTSS (0.36) LRRK2KDM4DNSD2CTSSCTSK
SCHEMBL29158603 0.90 CTSS (0.36) LRRK2KDM4DNSD2CTSSCTSK
SCHEMBL29158599 0.90 CTSS (0.36) LRRK2KDM4DNSD2CTSSCTSK
SCHEMBL23069408 0.89 LRRK2 (0.39) LRRK2UGCGGPR6HCRTR2MALT1
SCHEMBL30468097 0.88 LRRK2 (0.37) LRRK2KDM4DNSD2GPR119AR
SCHEMBL23069494 0.86 CTSL (0.44) LRRK2CTSSCTSKUGCGGPR6

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-114341133-B Substituted cyanopyrrolidines having USP30 inhibitor activity 特殊治疗有限公司 2024-02-27 — — CN disclosed
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