SCHEMBL20537463

SCHEMBL20537463

CCOc1cc(C2CN(C=O)CCO2)ccc1Nc1ncc(Br)c(OC)n1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 12/20 0.49
ALK Q9UM73 5/20 0.41
JAK2 O60674 1/20 0.39
BRD4 O60885 1/20 0.38
PLK1 P53350 1/20 0.38

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
SCHEMBL20537315 0.94 LRRK2 (0.48) LRRK2ALKJAK2
SCHEMBL20537313 0.94 LRRK2 (0.55) LRRK2ALKJAK2
SCHEMBL17644582 0.91 LRRK2 (0.55) LRRK2JAK2
SCHEMBL20537306 0.90 LRRK2 (0.49) LRRK2ALKJAK2
SCHEMBL20537293 0.88 LRRK2 (0.59) LRRK2JAK2
SCHEMBL20537296 0.88 LRRK2 (0.58) LRRK2ALKJAK2
SCHEMBL7455205 0.88 LRRK2 (0.48) LRRK2ALKJAK2
SCHEMBL20537443 0.87 LRRK2 (0.47) LRRK2ALK
SCHEMBL17644580 0.86 LRRK2 (0.54) LRRK2ALKJAK2
SCHEMBL20537247 0.85 LRRK2 (0.54) LRRK2ALK

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
EP-3075730-B1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2018-10-24 EP claimed