SCHEMBL19296121

SCHEMBL19296121

CC(=O)Nc1cnn(C2CCN(Cl)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 2/20 0.54
CLK2 P49760 5/20 0.44
LRRK2 Q5S007 4/20 0.44
MAPK7 Q13164 2/20 0.42
GSK3B P49841 2/20 0.41
DYRK1A Q13627 2/20 0.41
CLK3 P49761 1/20 0.41
MELK Q14680 4/20 0.40
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
MAP3K7 O43318 1/20 0.38
TAB1 Q15750 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CDK1 P06493 1/20 0.38
IGF1R P08069 1/20 0.38
CDK2 P24941 1/20 0.38
CDK8 P49336 1/20 0.38

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
SCHEMBL4285440 0.85 OGA (0.53) OGACLK2LRRK2GSK3BDYRK1A
SCHEMBL19283852 0.85 OGA (0.53) OGACLK2LRRK2MAPK7GSK3B
SCHEMBL23945623 0.82 OGA (0.50) OGACLK2LRRK2MAPK7GSK3B
SCHEMBL19296123 0.82 DDB1 (0.52) OGACLK2LRRK2MAPK7GSK3B
Hydrochloric Acid SCHEMBL19283848 0.81 DDB1 (0.51) OGACLK2LRRK2MAPK7GSK3B
SCHEMBL19283870 0.79 DDB1 (0.63) OGADDB1CRBNALDH1A1BTK
Hydrochloric Acid SCHEMBL21640209 0.77 OGA (0.46) OGACLK2LRRK2MAPK7GSK3B
SCHEMBL23945144 0.76 OGA (0.46) OGACLK2LRRK2MAPK7GSK3B
SCHEMBL23945349 0.76 OGA (0.46) OGACLK2LRRK2MAPK7GSK3B
SCHEMBL22098019 0.75 OGA (0.44) OGACLK2LRRK2MAPK7GSK3B

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
WO-2017144633-A1 GLYCOSIDASE INHIBITORS ASCENEURON S. A. (CH) 2017-08-31 WO disclosed
WO-2017144639-A1 GLYCOSIDASE INHIBITORS ASCENEURON S. A. (CH) 2017-08-31 WO disclosed