SCHEMBL20537247

SCHEMBL20537247

COc1cc(C2CN(C=O)CCO2)ccc1Nc1ncc(Cl)c(OC)n1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 12/20 0.54
INSR P06213 2/20 0.47
ALK Q9UM73 2/20 0.47
EGFR P00533 6/20 0.46
IGF1R P08069 1/20 0.46
MAP3K9 P80192 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44

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
SCHEMBL20537443 0.93 LRRK2 (0.47) LRRK2INSRALKEGFRIGF1R
SCHEMBL20537441 0.93 LRRK2 (0.57) LRRK2INSRALKEGFRIGF1R
SCHEMBL15022377 0.92 LRRK2 (0.56) LRRK2INSRALKEGFRIGF1R
SCHEMBL20537246 0.92 LRRK2 (0.49) LRRK2INSRALKEGFRIGF1R
SCHEMBL19304906 0.91 LRRK2 (0.49) LRRK2INSRALKEGFRMAP3K9
SCHEMBL17644540 0.91 LRRK2 (0.59) LRRK2MAP3K9MKNK2
SCHEMBL20537313 0.90 LRRK2 (0.55) LRRK2ALKEGFR
SCHEMBL17644552 0.88 ALK (0.49) LRRK2INSRALKEGFRIGF1R
SCHEMBL20536978 0.87 LRRK2 (0.53) LRRK2INSRALKEGFRIGF1R
SCHEMBL20536977 0.87 LRRK2 (0.46) LRRK2INSRALKEGFRIGF1R

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