SCHEMBL14556239

SCHEMBL14556239

CNc1nc(Nc2ccc(C(N)=O)cc2OC)ncc1C(F)(F)F

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 19/20 0.75
TTK P33981 1/20 0.70
PTK2 Q05397 1/20 0.65

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
SCHEMBL21761352 0.91 LRRK2 (0.76) LRRK2TTK
SCHEMBL21855436 0.91 LRRK2 (0.76) LRRK2TTK
SCHEMBL30680146 0.91 LRRK2 (0.76) LRRK2TTK
SCHEMBL7450144 0.85 LRRK2 (1.00) LRRK2TTK
SCHEMBL12065489 0.85 LRRK2 (1.00) LRRK2TTKPTK2
SCHEMBL7454644 0.85 LRRK2 (0.85) LRRK2TTK
SCHEMBL7446915 0.85 LRRK2 (1.00) LRRK2TTK
SCHEMBL7451711 0.84 LRRK2 (1.00) LRRK2
SCHEMBL14615070 0.83 LRRK2 (1.00) LRRK2TTK
SCHEMBL21855433 0.83 LRRK2 (0.87) LRRK2TTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354420-B2 Aminopyrimidine derivatives as LRRK2 inhibitors GENENTECH, INC. (US) 2013-01-15 US claimed