SCHEMBL12460416

SCHEMBL12460416

Cn1cc(-c2ccc(N)nc2N)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.49
SMARCA2 P51531 1/20 0.47
SMARCA4 P51532 1/20 0.47
BRD4 O60885 1/20 0.46
MTOR P42345 1/20 0.44
ALOX5AP P20292 1/20 0.44
FEN1 P39748 1/20 0.44
MAP4K4 O95819 1/20 0.44
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PI4KA P42356 1/20 0.42
PIK3CG P48736 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
GRM2 Q14416 1/20 0.41
CHEK1 O14757 2/20 0.40
CCNA2 P20248 2/20 0.40
CDK2 P24941 2/20 0.40
CCNA1 P78396 2/20 0.40
LCK P06239 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
SCHEMBL14844630 0.85 MTOR (0.49) LRRK2SMARCA2SMARCA4BRD4MTOR
SCHEMBL12459916 0.85 LRRK2 (0.51) LRRK2SMARCA2SMARCA4BRD4MTOR
SCHEMBL12138433 0.81 SMARCA2 (0.43) LRRK2SMARCA2SMARCA4BRD4MTOR
SCHEMBL3702318 0.81 LRRK2 (0.45) LRRK2SMARCA2SMARCA4BRD4ALOX5AP
SCHEMBL3702267 0.81 LRRK2 (0.42) LRRK2SMARCA2SMARCA4BRD4MTOR
SCHEMBL7891617 0.80 GRM2 (0.42) LRRK2SMARCA2SMARCA4BRD4MTOR
SCHEMBL38650985 0.80 SMARCA2 (0.45) LRRK2SMARCA2SMARCA4BRD4MAP4K4
SCHEMBL12395918 0.80 PIK3CD (0.48) LRRK2ALOX5APFEN1MAP4K4PIK3CD
SCHEMBL12369677 0.79 LRRK2 (0.52) LRRK2ALOX5APPIK3CDPIK3CAPIK3CB
SCHEMBL31118837 0.76 LCK (0.50) LRRK2SMARCA2SMARCA4BRD4MTOR

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-2345328-A1 COMPOSITION FOR AGRICULTURAL USE Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP disclosed