SCHEMBL21761352

SCHEMBL21761352

CNc1nc(Nc2ccc(C(C)=O)cc2OC)ncc1C(F)(F)F

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 20/20 0.76
TTK P33981 1/20 0.71

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
SCHEMBL30680146 0.92 LRRK2 (0.76) LRRK2TTK
SCHEMBL21855436 0.92 LRRK2 (0.76) LRRK2TTK
SCHEMBL14556239 0.91 LRRK2 (0.75) LRRK2TTK
SCHEMBL7450144 0.86 LRRK2 (1.00) LRRK2TTK
SCHEMBL7454644 0.86 LRRK2 (0.85) LRRK2TTK
SCHEMBL12065489 0.86 LRRK2 (1.00) LRRK2TTK
SCHEMBL7446915 0.86 LRRK2 (1.00) LRRK2TTK
SCHEMBL14615070 0.84 LRRK2 (1.00) LRRK2TTK
SCHEMBL21855433 0.84 LRRK2 (0.87) LRRK2TTK
SCHEMBL7458679 0.84 LRRK2 (1.00) LRRK2TTK

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
WO-2020040591-A1 NOVEL USE OF PYRIMIDINE DERIVATIVE COMPRISING LRRK KINASE INHIBITOR AS EFFECTIVE INGREDIENT 재단법인 대구경북첨단의료산업진흥재단 2020-02-27 WO disclosed