SCHEMBL19086093

SCHEMBL19086093

CC(C)c1[nH]nnc1-c1cc(-c2cc(Cl)cc(CN3CCOCC3)c2)cnc1N

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 15/20 0.64
USP7 Q93009 1/20 0.38
JAK2 O60674 1/20 0.37
MAPT P10636 1/20 0.35
MAP4K1 Q92918 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL19086091 0.83 LRRK2 (0.64) LRRK2JAK2
SCHEMBL15865262 0.82 LRRK2 (0.64) LRRK2
SCHEMBL15864511 0.81 LRRK2 (0.65) LRRK2
SCHEMBL15865334 0.78 LRRK2 (1.00) LRRK2
SCHEMBL15864772 0.75 LRRK2 (0.64) LRRK2JAK2MAPT
SCHEMBL15865168 0.73 LRRK2 (0.65) LRRK2
SCHEMBL15864661 0.71 LRRK2 (0.65) LRRK2JAK2
SCHEMBL15864859 0.70 LRRK2 (0.47) LRRK2USP7
SCHEMBL19112998 0.70 LRRK2 (0.54) LRRK2USP7
SCHEMBL15864642 0.67 LRRK2 (0.49) LRRK2JAK2

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-2941425-B1 AMINOPYRIDINE DERIVED COMPOUNDS AS LRRK2 INHIBITORS H LUNDBECK AS (DK) 2017-07-12 EP claimed