SCHEMBL27975393

SCHEMBL27975393

N#Cc1nnc2cc(-c3ccc(C[SH](=O)=O)cc3)ccc2c1NC1CCC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 16/20 0.46
▸ PDGFRA P16234 1/20 0.44
▸ FAAH O00519 1/20 0.34
▸ PDPK1 O15530 1/20 0.32
▸ RPS6KB1 P23443 1/20 0.32
▸ ABL1 P00519 1/20 0.31
▸ EGFR P00533 1/20 0.31
▸ SRC P12931 1/20 0.31
▸ FLT1 P17948 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ SYK P43405 1/20 0.31
▸ MELK Q14680 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
SCHEMBL27975112 0.96 LRRK2 (0.47) LRRK2PDGFRAMELK
SCHEMBL19825527 0.89 LRRK2 (0.45) LRRK2PDGFRAABL1EGFRSRC
SCHEMBL28830336 0.83 LRRK2 (0.43) LRRK2PDGFRA
SCHEMBL28814172 0.83 LRRK2 (0.53) LRRK2PDGFRA
SCHEMBL27975446 0.82 LRRK2 (0.67) LRRK2PDGFRA
SCHEMBL28830335 0.81 LRRK2 (0.70) LRRK2PDGFRA
SCHEMBL27975100 0.81 LRRK2 (0.50) LRRK2
SCHEMBL27975358 0.81 LRRK2 (0.68) LRRK2PDGFRA
SCHEMBL14059829 0.80 LRRK2 (0.70) LRRK2PDGFRA
SCHEMBL28830370 0.80 LRRK2 (0.47) 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 3 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-B The inhibitor of LRRK2 kinase activity 依兰制药公司 2016-08-17 — — CN disclosed
CN-103917525-A Inhibitors of LRRK2 kinase activity ELAN PHARM INC 2014-07-09 — — CN disclosed
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