SCHEMBL21855433

SCHEMBL21855433

CNc1nc(Nc2ccc(C(=O)N3CCN(C(=O)O)CC3)cc2OC)ncc1C(F)(F)F

nearest known ligand 0.87

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 20/20 0.87
TTK P33981 1/20 0.82

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
SCHEMBL7446915 0.93 LRRK2 (1.00) LRRK2TTK
SCHEMBL24042651 0.91 LRRK2 (0.84) LRRK2TTK
SCHEMBL21938842 0.91 LRRK2 (0.82) LRRK2TTK
SCHEMBL26841737 0.90 LRRK2 (0.85) LRRK2TTK
SCHEMBL7449691 0.90 LRRK2 (1.00) LRRK2TTK
SCHEMBL21939326 0.90 LRRK2 (0.81) LRRK2TTK
SCHEMBL12065488 0.90 LRRK2 (1.00) LRRK2TTK
SCHEMBL26654680 0.90 LRRK2 (0.73) LRRK2TTK
Hydrochloric Acid SCHEMBL30636066 0.90 LRRK2 (0.84) LRRK2TTK
SCHEMBL7458732 0.90 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-2020081682-A1 DEGRADERS OF WILD-TYPE AND MUTANT FORMS OF LRRK2 DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-04-23 WO disclosed