SCHEMBL15864772

SCHEMBL15864772

CC(C)c1[nH]nnc1-c1cc(-c2ccc(CC(=O)N3CCOCC3)cc2)cnc1N

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 12/20 0.64
KCNH2 Q12809 2/20 0.45
MAPT P10636 1/20 0.45
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
MET P08581 1/20 0.40

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 0.82 LRRK2 (0.65) LRRK2KCNH2JAK2JAK1TYK2
SCHEMBL15865168 0.81 LRRK2 (0.65) LRRK2KCNH2MET
SCHEMBL15865510 0.81 LRRK2 (0.65) LRRK2KCNH2MET
SCHEMBL15865279 0.81 LRRK2 (0.59) LRRK2KCNH2MET
SCHEMBL15864658 0.80 LRRK2 (0.66) LRRK2KCNH2JAK2JAK1TYK2
SCHEMBL15864511 0.79 LRRK2 (0.65) LRRK2KCNH2MET
SCHEMBL17271364 0.78 LRRK2 (1.00) LRRK2
SCHEMBL19086091 0.76 LRRK2 (0.64) LRRK2KCNH2JAK2
SCHEMBL15865262 0.76 LRRK2 (0.64) LRRK2KCNH2MET
SCHEMBL19086093 0.75 LRRK2 (0.64) LRRK2MAPTJAK2

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