SCHEMBL28075849

SCHEMBL28075849

Nc1c(NC=O)nnc2cc(-c3ccc(C[SH](=O)=O)cc3)ccc12

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 5/20 0.36
▸ LIMK1 P53667 2/20 0.33
▸ NOS1 P29475 4/20 0.32
▸ NOS3 P29474 3/20 0.31
▸ NOS2 P35228 1/20 0.31

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
SCHEMBL28076019 0.84 LRRK2 (0.39) LRRK2NOS1
SCHEMBL28075851 0.82 LRRK2 (0.42) LRRK2
SCHEMBL28075843 0.81 LRRK2 (0.45) LRRK2
SCHEMBL28830436 0.81 LRRK2 (0.42) LRRK2
SCHEMBL28075954 0.80 LRRK2 (0.42) LRRK2
SCHEMBL28830336 0.79 LRRK2 (0.43) LRRK2
SCHEMBL28830371 0.78 LRRK2 (0.59) LRRK2
SCHEMBL28830361 0.78 — —
SCHEMBL28075918 0.76 LRRK2 (0.49) LRRK2
SCHEMBL28075950 0.76 LRRK2 (0.46) LRRK2

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-103917525-B The inhibitor of LRRK2 kinase activity 依兰制药公司 2016-08-17 — — CN claimed
CN-103917525-B The inhibitor of LRRK2 kinase activity 依兰制药公司 2016-08-17 — — CN disclosed
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