SCHEMBL28076014

SCHEMBL28076014

C[C@@H](Nc1c(NC=O)nnc2cc(-c3ccc(C(=O)N(C)C)cc3)ccc12)C1CC1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 20/20 0.56
▸ CSF1R P07333 1/20 0.50
▸ PDGFRA P16234 1/20 0.50

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
SCHEMBL28830334 0.92 LRRK2 (0.54) LRRK2CSF1RPDGFRA
SCHEMBL28075911 0.85 LRRK2 (0.65) LRRK2CSF1RPDGFRA
SCHEMBL28076036 0.84 LRRK2 (0.66) LRRK2CSF1RPDGFRA
SCHEMBL28076012 0.84 LRRK2 (0.53) LRRK2CSF1RPDGFRA
SCHEMBL14059582 0.84 LRRK2 (0.69) LRRK2CSF1RPDGFRA
SCHEMBL14059581 0.84 LRRK2 (0.69) LRRK2CSF1RPDGFRA
SCHEMBL14059710 0.83 LRRK2 (0.78) LRRK2CSF1RPDGFRA
SCHEMBL14059708 0.83 LRRK2 (0.78) LRRK2CSF1RPDGFRA
SCHEMBL28075918 0.80 LRRK2 (0.49) LRRK2CSF1RPDGFRA
SCHEMBL28830388 0.78 LRRK2 (0.45) 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-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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