SCHEMBL15864658

SCHEMBL15864658

COc1cc(-c2cnc(N)c(-c3nn[nH]c3C(C)C)c2)ccc1C(=O)N1CCOCC1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 9/20 0.66
KIT P10721 1/20 0.51
GAK O14976 1/20 0.46
FYN P06241 1/20 0.45
PIK3CA P42336 1/20 0.45
MTOR P42345 1/20 0.45
KCNH2 Q12809 2/20 0.45
PIK3C3 Q8NEB9 1/20 0.43
MET P08581 1/20 0.42
CHEK1 O14757 1/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
AXL P30530 1/20 0.41
MERTK Q12866 1/20 0.41

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
SCHEMBL15864661 0.89 LRRK2 (0.65) LRRK2KITPIK3CAMTORKCNH2
SCHEMBL15865168 0.89 LRRK2 (0.65) LRRK2PIK3CAMTORKCNH2PIK3C3
SCHEMBL15865510 0.89 LRRK2 (0.65) LRRK2PIK3CAMTORKCNH2PIK3C3
SCHEMBL15865279 0.87 LRRK2 (0.59) LRRK2PIK3CAMTORKCNH2PIK3C3
SCHEMBL15864772 0.80 LRRK2 (0.64) LRRK2KCNH2METJAK2JAK1
SCHEMBL29857636 0.80 LRRK2 (1.00) LRRK2KIT
SCHEMBL15864655 0.80 LRRK2 (1.00) LRRK2KIT
SCHEMBL15864511 0.79 LRRK2 (0.65) LRRK2KCNH2PIK3C3MET
SCHEMBL19086091 0.73 LRRK2 (0.64) LRRK2KCNH2JAK2
SCHEMBL15865262 0.73 LRRK2 (0.64) LRRK2KCNH2METAXLMERTK

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-2941425-A1 AMINOPYRIDINE DERIVED COMPOUNDS AS LRRK2 INHIBITORS H. Lundbeck A/S (DK) 2015-11-11 EP disclosed
WO-2014106612-A1 AMINOPYRIDINE DERIVED COMPOUNDS AS LRRK2 INHIBITORS H. LUNDBECK A/S (DK) 2014-07-10 WO disclosed