SCHEMBL7459019

SCHEMBL7459019

CNc1nc(Nc2cc[c]cc2OC)ncc1F

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 15/20 0.50
AURKA O14965 2/20 0.47
SYK P43405 2/20 0.45
ALK Q9UM73 2/20 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
SCHEMBL7449816 0.89 LRRK2 (0.53) LRRK2
SCHEMBL28081293 0.85 LRRK2 (0.52) LRRK2ALK
SCHEMBL14995754 0.85 LRRK2 (0.67) LRRK2
SCHEMBL7454699 0.80 LRRK2 (0.51) LRRK2
SCHEMBL25302280 0.76 LRRK2 (0.50) LRRK2ALK
SCHEMBL28609552 0.75 LRRK2 (0.40) LRRK2
SCHEMBL28591970 0.75 HTR2C (0.44) LRRK2
SCHEMBL20537316 0.75 ULK1 (0.50) LRRK2ALK
SCHEMBL14556210 0.75 LRRK2 (0.51) LRRK2ALK
SCHEMBL7456753 0.74 LRRK2 (0.77) LRRK2AURKA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3075730-B1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2018-10-24 EP disclosed
EP-3075730-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. Hoffmann-La Roche AG (CH) 2016-10-05 EP disclosed
CN-105837519-A AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS 霍夫曼-拉罗奇有限公司 2016-08-10 CN disclosed
EP-2576541-B1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS HOFFMANN LA ROCHE (CH) 2016-04-06 EP disclosed
EP-2576541-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-04-10 EP disclosed
WO-2011151360-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-08 WO disclosed