SCHEMBL18453052

SCHEMBL18453052

CNc1nc(Nc2cnn(C3(C)CC3)c2Cl)ncc1C(F)(F)F

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 20/20 0.74
CYP1A2 P05177 4/20 0.70

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
SCHEMBL5021232 0.88 LRRK2 (0.73) LRRK2CYP1A2
SCHEMBL21613976 0.88 LRRK2 (0.73) LRRK2CYP1A2
SCHEMBL9288728 0.85 LRRK2 (1.00) LRRK2CYP1A2
SCHEMBL19445973 0.84 LRRK2 (0.67) LRRK2CYP1A2
SCHEMBL5021137 0.83 LRRK2 (1.00) LRRK2CYP1A2
SCHEMBL4564821 0.80 LRRK2 (0.73) LRRK2CYP1A2
SCHEMBL15528495 0.79 LRRK2 (1.00) LRRK2CYP1A2
SCHEMBL4561192 0.79 LRRK2 (0.77) LRRK2CYP1A2
SCHEMBL4561148 0.79 LRRK2 (0.77) LRRK2CYP1A2
SCHEMBL4559344 0.79 LRRK2 (0.74) LRRK2CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2638031-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2017-10-11 EP disclosed
EP-3124483-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. Hoffmann-La Roche AG (CH) 2017-02-01 EP disclosed