SCHEMBL20537296

SCHEMBL20537296

COCCOc1nc(Nc2ccc(C3CN(C=O)CCO3)cc2OC)ncc1Br

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 14/20 0.58
ULK1 O75385 2/20 0.42
JAK2 O60674 1/20 0.41
ALK Q9UM73 1/20 0.39
EGFR P00533 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 0.92 LRRK2 (0.48) LRRK2ULK1JAK2ALKEGFR
SCHEMBL20537313 0.92 LRRK2 (0.55) LRRK2ULK1JAK2ALKEGFR
SCHEMBL20537246 0.91 LRRK2 (0.49) LRRK2JAK2ALKEGFR
SCHEMBL7455205 0.89 LRRK2 (0.48) LRRK2ULK1JAK2ALKEGFR
SCHEMBL20537463 0.88 LRRK2 (0.49) LRRK2JAK2ALK
SCHEMBL17644596 0.88 LRRK2 (0.59) LRRK2ULK1JAK2ALKEGFR
SCHEMBL20537306 0.86 LRRK2 (0.49) LRRK2JAK2ALK
SCHEMBL17644582 0.86 LRRK2 (0.55) LRRK2JAK2EGFR
SCHEMBL17644555 0.85 LRRK2 (0.56) LRRK2ULK1JAK2ALKEGFR
SCHEMBL20537293 0.84 LRRK2 (0.59) LRRK2JAK2EGFR

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