SCHEMBL14059793

SCHEMBL14059793

N#Cc1nnc2cc(-c3ccccc3OC(F)(F)F)ccc2c1NCCC1CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 6/20 0.48
▸ ACP1 P24666 1/20 0.38
▸ PDE2A O00408 1/20 0.36
▸ DHODH Q02127 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ SCN9A Q15858 5/20 0.36
▸ SCN5A Q14524 1/20 0.36
▸ ABL1 P00519 2/20 0.36
▸ TRPA1 O75762 1/20 0.36
▸ ALOX5AP P20292 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ CAMKK2 Q96RR4 1/20 0.33

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
SCHEMBL14059477 0.89 LRRK2 (0.46) LRRK2
SCHEMBL14059532 0.85 LRRK2 (0.44) LRRK2
SCHEMBL14059769 0.83 LRRK2 (0.46) LRRK2
SCHEMBL14059154 0.83 LRRK2 (0.49) LRRK2
SCHEMBL14062326 0.82 LRRK2 (0.69) LRRK2SCN9A
SCHEMBL14059131 0.81 LRRK2 (0.70) LRRK2
SCHEMBL14059132 0.81 LRRK2 (0.70) LRRK2
SCHEMBL14059700 0.81 LRRK2 (0.49) LRRK2ALOX5APFEN1
SCHEMBL14059025 0.80 LRRK2 (0.47) LRRK2
SCHEMBL14059413 0.79 LRRK2 (0.46) LRRK2PDE10A

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
EP-2726465-A1 INHIBITORS OF LRRK2 KINASE ACTIVITY Elan Pharmaceuticals Inc. (US) 2014-05-07 — — EP disclosed
WO-2012162254-A1 INHIBITORS OF LRRK2 KINASE ACTIVITY ELAN PHARMACEUTICALS, INC. (US) 2012-11-29 — — WO disclosed
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