SCHEMBL21940600

SCHEMBL21940600

CNCc1cc(C)c(N2CCOC(C)C2)nn1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 8/20 0.41
STK3 Q13188 1/20 0.39
STK26 Q9P289 1/20 0.39
PIK3CA P42336 2/20 0.35
PIK3CB P42338 2/20 0.35
FFAR2 O15552 5/20 0.34
WNT3A P56704 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CG P48736 1/20 0.33
TTK P33981 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL21940294 0.78 LRRK2 (0.44) LRRK2STK3STK26FFAR2
SCHEMBL21940791 0.78 LRRK2 (0.44) LRRK2STK3STK26FFAR2
SCHEMBL21940812 0.72 FFAR2 (0.38) FFAR2
SCHEMBL21940810 0.72 LRRK2 (0.41) LRRK2ADORA2AADORA1
SCHEMBL23622932 0.69 LRRK2 (0.46) LRRK2STK3STK26FFAR2
SCHEMBL29173621 0.69 LRRK2 (0.43) LRRK2STK3STK26FFAR2
SCHEMBL13724161 0.69 LRRK2 (0.46) LRRK2STK3STK26FFAR2
SCHEMBL30205934 0.69 LRRK2 (0.43) LRRK2STK3STK26FFAR2
SCHEMBL21940805 0.69 ELOVL1 (0.39) FFAR2
SCHEMBL21940807 0.69 LRRK2 (0.44) LRRK2STK3ADORA2AADORA1

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-3423445-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2020-04-01 EP disclosed