SCHEMBL18658679

SCHEMBL18658679

CO/C(C=N)=C/NCc1nc2cnc3ccc(C#N)cc3c2n1CC(C)(F)F

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 20/20 0.43

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
SCHEMBL18658645 0.90 LRRK2 (0.41) LRRK2
SCHEMBL18658674 0.89 LRRK2 (0.40) LRRK2
SCHEMBL25022467 0.87 LRRK2 (0.57) LRRK2
SCHEMBL25020868 0.85 LRRK2 (0.41) LRRK2
SCHEMBL25020867 0.80 LRRK2 (0.49) LRRK2
SCHEMBL18658649 0.80 LRRK2 (0.43) LRRK2
SCHEMBL25022409 0.79 LRRK2 (0.62) LRRK2
SCHEMBL25022408 0.79 LRRK2 (0.62) LRRK2
SCHEMBL23934989 0.75 LRRK2 (0.42) LRRK2
SCHEMBL23935009 0.74 LRRK2 (0.38) LRRK2

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-3350178-B1 NOVEL IMIDAZO [4,5-C]QUINOLINE AND IMIDAZO [4,5-C][1,5]NAPHTHYRIDINE DERIVATIVES AS LRRK2 INHIBITORS PFIZER (US) 2021-10-20 EP disclosed
WO-2017046675-A1 NOVEL IMIDAZO [4,5-C] QUINOLINE AND IMIDAZO [4,5-C][1,5] NAPHTHYRIDINE DERIVATIVES AS LRRK2 INHIBITORS PFIZER INC. (US) 2017-03-23 WO disclosed