SCHEMBL5201162

SCHEMBL5201162

CCc1cn(CC)c(=O)nc1N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
ADORA2A P29274 2/20 0.33
ALDH1A1 P00352 2/20 0.33
PI4KA P42356 2/20 0.33
PI4KB Q9UBF8 2/20 0.33
ADORA1 P30542 1/20 0.33
PI4K2B Q8TCG2 1/20 0.33
PI4K2A Q9BTU6 1/20 0.33
DHFR P00374 3/20 0.32
TLR8 Q9NR97 1/20 0.31
EP300 Q09472 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL11718699 0.81 EP300 (0.43) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL16631732 0.80 EP300 (0.41) EP300
SCHEMBL7195735 0.79 TYR (0.35) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL12724345 0.79 EP300 (0.43) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL24539176 0.79 TET2 (0.40) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL19663162 0.78 DHFR (0.33) ALDH1A1DHFRTLR8KDM4ECYP1A2
SCHEMBL16631482 0.77 EP300 (0.40) EP300
SCHEMBL24797317 0.77 CDK1 (0.33) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL19310476 0.75 LMNA (0.47) ALDH1A1EP300KDM4ECYP1A2CYP2D6
SCHEMBL16631397 0.74 EP300 (0.32) EP300

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013013019-A2 LYSOSOMAL POLYPEPTIDES, METHODS OF MAKING AND USING ALNYLAM PHARMACEUTICALS, INC. (US) 2013-01-24 WO disclosed
EP-1789586-A2 DNA DECONTAMINATION METHOD Roche Diagnostics GmbH (DE) 2007-05-30 EP disclosed
WO-2006024541-A2 DNA DECONTAMINATION METHOD ROCHE DIAGNOSTICS GMBH (DE) 2006-03-09 WO disclosed