SCHEMBL20537441

SCHEMBL20537441

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

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 11/20 0.57
ALK Q9UM73 3/20 0.45
INSR P06213 2/20 0.45
EGFR P00533 6/20 0.44
IGF1R P08069 1/20 0.44
MAP3K9 P80192 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42

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
SCHEMBL20537247 0.93 LRRK2 (0.54) LRRK2ALKINSREGFRIGF1R
SCHEMBL7455205 0.91 LRRK2 (0.48) LRRK2ALKEGFR
SCHEMBL20537443 0.90 LRRK2 (0.47) LRRK2ALKINSREGFRIGF1R
SCHEMBL20537246 0.89 LRRK2 (0.49) LRRK2ALKINSREGFRIGF1R
SCHEMBL17644552 0.89 ALK (0.49) LRRK2ALKINSREGFRIGF1R
SCHEMBL17644540 0.87 LRRK2 (0.59) LRRK2MAP3K9MKNK2
SCHEMBL17644519 0.87 LRRK2 (0.57) LRRK2ALKINSRMAP3K9MKNK2
SCHEMBL20537306 0.87 LRRK2 (0.49) LRRK2ALK
SCHEMBL17644537 0.86 LRRK2 (0.59) LRRK2ALKINSREGFRIGF1R
SCHEMBL17644544 0.86 LRRK2 (0.60) LRRK2ALKINSREGFRIGF1R

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