SCHEMBL28075972

SCHEMBL28075972

C[C@@H](Nc1c(C#N)nnc2cc(-c3cccc(C[SH](=O)=O)c3)ccc12)C1CC1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 20/20 0.64
▸ CSF1R P07333 1/20 0.43
▸ PDGFRA P16234 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
SCHEMBL28830335 0.92 LRRK2 (0.70) LRRK2CSF1RPDGFRA
SCHEMBL28075942 0.85 LRRK2 (0.49) LRRK2CSF1RPDGFRA
SCHEMBL28075903 0.85 LRRK2 (0.61) LRRK2CSF1RPDGFRA
SCHEMBL17135900 0.84 LRRK2 (0.76) LRRK2CSF1RPDGFRA
SCHEMBL17135899 0.84 LRRK2 (0.76) LRRK2CSF1RPDGFRA
SCHEMBL14059466 0.81 LRRK2 (0.84) LRRK2CSF1RPDGFRA
SCHEMBL14059465 0.81 LRRK2 (0.84) LRRK2CSF1RPDGFRA
SCHEMBL14059855 0.80 LRRK2 (0.61) LRRK2CSF1RPDGFRA
SCHEMBL14059858 0.80 LRRK2 (0.61) LRRK2CSF1RPDGFRA
SCHEMBL17135939 0.80 LRRK2 (0.74) LRRK2CSF1RPDGFRA

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