SCHEMBL15865417

SCHEMBL15865417

CC(C)n1cc(-c2cncc(-c3cc(Cl)cc(CN4CCOCC4)c3)c2)nn1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 14/20 0.73
PRMT6 Q96LA8 1/20 0.41
SYK P43405 1/20 0.38
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CNR2 P34972 1/20 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
SCHEMBL15865334 0.84 LRRK2 (1.00) LRRK2
SCHEMBL15864640 0.82 LRRK2 (0.73) LRRK2
SCHEMBL15864635 0.78 LRRK2 (0.73) LRRK2
SCHEMBL15865096 0.72 LRRK2 (1.00) LRRK2
SCHEMBL15870144 0.70 LRRK2 (1.00) LRRK2
SCHEMBL27050527 0.67 HRH3 (0.50) LRRK2MEN1USP2TSHRKMT2A
SCHEMBL15864649 0.67 LRRK2 (1.00) LRRK2
SCHEMBL15864797 0.65 LRRK2 (1.00) LRRK2
SCHEMBL19086093 0.65 LRRK2 (0.64) LRRK2
SCHEMBL21551161 0.65 BRD4 (0.60) LRRK2MEN1KMT2A

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