SCHEMBL17623325

SCHEMBL17623325

Cc1ncnc(N2CCO[C@H](CN(C)C)C2)c1C

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 8/20 0.48
CHEK1 O14757 8/20 0.46
CHEK2 O96017 7/20 0.41
FFAR2 O15552 3/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL17623221 0.86 CHEK1 (0.41) LRRK2CHEK1CHEK2FFAR2
SCHEMBL13103472 0.73 LRRK2 (0.41) LRRK2ALDH1A1
SCHEMBL21940807 0.72 LRRK2 (0.44) LRRK2CHEK1CHEK2
SCHEMBL16440191 0.71 GAA (0.43) LRRK2ALDH1A1
SCHEMBL19241974 0.71 KDM4E (0.54) LRRK2CHEK1ALDH1A1
SCHEMBL21941085 0.71 LRRK2 (0.50) LRRK2CHEK1CHEK2ALDH1A1
SCHEMBL21262293 0.70 GRIN2D (0.43) LRRK2CHEK1CHEK2ALDH1A1
SCHEMBL18436051 0.70 LMNA (0.43) LRRK2CHEK1CHEK2
SCHEMBL23089673 0.69 LRRK2 (0.42) LRRK2CHEK1CHEK2
SCHEMBL23114504 0.68 LRRK2 (0.41) LRRK2CHEK1CHEK2

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
WO-2016044641-A2 CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-03-24 WO disclosed