SCHEMBL23935005

SCHEMBL23935005

CC(C)/C(N)=C/NCc1nc2cnc3ccc(C#N)cc3c2n1C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 16/20 0.41
PIK3CA P42336 4/20 0.39
MTOR P42345 3/20 0.39
PIK3CB P42338 2/20 0.39
PRKDC P78527 2/20 0.39
ATM Q13315 2/20 0.39
ATR Q13535 2/20 0.39
KDR P35968 1/20 0.39
GSK3B P49841 1/20 0.39
KCNH2 Q12809 1/20 0.39
PIK3CG P48736 1/20 0.37
PIK3CD O00329 2/20 0.37

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
SCHEMBL23935003 0.86 LRRK2 (0.41) LRRK2PIK3CAPIK3CD
SCHEMBL23934989 0.84 LRRK2 (0.42) LRRK2PIK3CAPIK3CD
SCHEMBL23935127 0.82 LRRK2 (0.43) LRRK2PIK3CAPIK3CD
SCHEMBL25020868 0.82 LRRK2 (0.41) LRRK2PIK3CAPIK3CD
SCHEMBL23935247 0.80 LRRK2 (0.42) LRRK2PIK3CAPIK3CD
SCHEMBL23935076 0.80 LRRK2 (0.43) LRRK2PIK3CAPIK3CD
SCHEMBL23935014 0.77 LRRK2 (0.50) LRRK2PIK3CAPIK3CD
SCHEMBL23935012 0.77 LRRK2 (0.43) LRRK2PIK3CAPIK3CD
SCHEMBL25022262 0.76 LRRK2 (0.41) LRRK2PIK3CAMTORATMPIK3CD
SCHEMBL23935225 0.74 LRRK2 (0.40) LRRK2PIK3CAMTORPIK3CD

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