SCHEMBL20537293

SCHEMBL20537293

COc1nc(Nc2ccc(C3CN(C=O)CCO3)cc2OC2CCC2)ncc1Br

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 18/20 0.59
PDE4B Q07343 1/20 0.43
JAK2 O60674 1/20 0.38
EGFR P00533 1/20 0.37

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
SCHEMBL17644582 0.97 LRRK2 (0.55) LRRK2PDE4BJAK2EGFR
SCHEMBL20537313 0.92 LRRK2 (0.55) LRRK2JAK2EGFR
SCHEMBL20537463 0.88 LRRK2 (0.49) LRRK2JAK2
SCHEMBL20537306 0.88 LRRK2 (0.49) LRRK2JAK2
SCHEMBL7455205 0.86 LRRK2 (0.48) LRRK2JAK2EGFR
SCHEMBL20537315 0.86 LRRK2 (0.48) LRRK2JAK2EGFR
SCHEMBL20537296 0.84 LRRK2 (0.58) LRRK2JAK2EGFR
SCHEMBL20536978 0.84 LRRK2 (0.53) LRRK2PDE4BEGFR
SCHEMBL17644560 0.83 LRRK2 (0.55) LRRK2
SCHEMBL20537247 0.83 LRRK2 (0.54) LRRK2EGFR

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