SCHEMBL28813306

SCHEMBL28813306

C[C@@H](Nc1c(C(N)=O)nnc2cc(-c3ccc(C[SH](=O)=O)cc3)ccc12)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 20/20 0.74
▸ CSF1R P07333 1/20 0.53
▸ PDGFRA P16234 1/20 0.53

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
SCHEMBL27975105 0.88 LRRK2 (0.71) LRRK2CSF1RPDGFRA
SCHEMBL28814189 0.85 LRRK2 (0.71) LRRK2CSF1RPDGFRA
SCHEMBL14059621 0.85 LRRK2 (1.00) LRRK2CSF1RPDGFRA
SCHEMBL14059619 0.85 LRRK2 (1.00) LRRK2CSF1RPDGFRA
SCHEMBL17135863 0.85 LRRK2 (1.00) LRRK2CSF1RPDGFRA
SCHEMBL27975370 0.83 LRRK2 (0.65) LRRK2CSF1RPDGFRA
SCHEMBL17135946 0.83 LRRK2 (1.00) LRRK2CSF1RPDGFRA
SCHEMBL17135945 0.83 LRRK2 (1.00) LRRK2CSF1RPDGFRA
SCHEMBL27975550 0.82 LRRK2 (0.52) LRRK2
SCHEMBL27975422 0.81 LRRK2 (0.69) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103917525-A Inhibitors of LRRK2 kinase activity ELAN PHARM INC 2014-07-09 — — CN claimed
CN-103917525-A Inhibitors of LRRK2 kinase activity ELAN PHARM INC 2014-07-09 — — CN disclosed
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