SCHEMBL23935012

SCHEMBL23935012

Cn1c(C/C(N)=C/SN)nc2cnc3ccc(C#N)cc3c21

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 19/20 0.43
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39

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
SCHEMBL25020877 0.82 LRRK2 (0.41) LRRK2PIK3CDPIK3CA
SCHEMBL23935014 0.80 LRRK2 (0.50) LRRK2PIK3CDPIK3CA
SCHEMBL23935005 0.77 LRRK2 (0.41) LRRK2PIK3CDPIK3CA
SCHEMBL23935003 0.76 LRRK2 (0.41) LRRK2PIK3CDPIK3CA
SCHEMBL23935127 0.76 LRRK2 (0.43) LRRK2PIK3CDPIK3CA
SCHEMBL23935016 0.74 LRRK2 (0.49) LRRK2PIK3CDPIK3CA
SCHEMBL23935191 0.74 LRRK2 (0.54) LRRK2PIK3CDPIK3CA
SCHEMBL23935165 0.73 LRRK2 (0.51) LRRK2PIK3CDPIK3CA
SCHEMBL23934965 0.73 LRRK2 (0.49) LRRK2PIK3CDPIK3CA
SCHEMBL23935032 0.72 LRRK2 (0.56) LRRK2PIK3CDPIK3CA

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-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