SCHEMBL20537246

SCHEMBL20537246

COCCOc1nc(Nc2ccc(C3CN(C=O)CCO3)cc2OC)ncc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 11/20 0.49
INSR P06213 6/20 0.45
ALK Q9UM73 6/20 0.45
IGF1R P08069 3/20 0.45
EGFR P00533 5/20 0.43
CDC7 O00311 1/20 0.42
PLK4 O00444 1/20 0.42
CHEK1 O14757 1/20 0.42
AURKA O14965 1/20 0.42
DCLK1 O15075 1/20 0.42
PDPK1 O15530 1/20 0.42
DAPK3 O43293 1/20 0.42
DYRK3 O43781 1/20 0.42
JAK2 O60674 1/20 0.42
PRKD3 O94806 1/20 0.42
PAK4 O96013 1/20 0.42
CHEK2 O96017 1/20 0.42
ERBB2 P04626 1/20 0.42
PRKCG P05129 1/20 0.42
LCK P06239 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
SCHEMBL20537443 0.92 LRRK2 (0.47) LRRK2INSRALKIGF1REGFR
SCHEMBL20537247 0.92 LRRK2 (0.54) LRRK2INSRALKIGF1REGFR
SCHEMBL20537296 0.91 LRRK2 (0.58) LRRK2ALKEGFRJAK2
SCHEMBL20537441 0.89 LRRK2 (0.57) LRRK2INSRALKIGF1REGFR
SCHEMBL17644512 0.88 LRRK2 (0.59) LRRK2INSRALKIGF1REGFR
SCHEMBL15022377 0.87 LRRK2 (0.56) LRRK2INSRALKIGF1REGFR
SCHEMBL17644540 0.86 LRRK2 (0.59) LRRK2MKNK2
SCHEMBL17644564 0.84 LRRK2 (0.51) LRRK2INSRALKIGF1REGFR
SCHEMBL20537313 0.84 LRRK2 (0.55) LRRK2ALKEGFRJAK2
SCHEMBL17644552 0.84 ALK (0.49) LRRK2INSRALKIGF1REGFR

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