SCHEMBL4770588

SCHEMBL4770588

CCN(CC)CCS(=O)(=O)c1ccc(Nc2ncc(C#N)c(NC3CC3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 17/20 0.56
LRRK2 Q5S007 2/20 0.42
AURKA O14965 1/20 0.42
CHEK1 O14757 2/20 0.41
RET P07949 2/20 0.41
JAK1 P23458 2/20 0.41
TYK2 P29597 2/20 0.41
FLT3 P36888 2/20 0.41
RPS6KA3 P51812 2/20 0.41
MAPK10 P53779 2/20 0.41
STK4 Q13043 2/20 0.41
STK3 Q13188 2/20 0.41
MARK2 Q7KZI7 2/20 0.41
TBK1 Q9UHD2 2/20 0.41
RPS6KA6 Q9UK32 2/20 0.41
NUAK1 O60285 1/20 0.41
JAK2 O60674 1/20 0.41
CSF1R P07333 1/20 0.41
FLT4 P35916 1/20 0.41
JAK3 P52333 1/20 0.41

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
SCHEMBL4775395 0.90 SYK (0.60) SYKLRRK2AURKACHEK1RET
SCHEMBL4763434 0.89 SYK (0.67) SYKLRRK2AURKACHEK1RET
SCHEMBL4764044 0.82 SYK (0.66) SYKLRRK2AURKAJAK1TBK1
SCHEMBL4772623 0.82 SYK (0.54) SYKLRRK2AURKACHEK1JAK1
SCHEMBL4769208 0.81 SYK (0.53) SYKLRRK2AURKACHEK1
SCHEMBL4764141 0.79 CDK2 (0.53) SYKLRRK2AURKA
SCHEMBL4766314 0.78 SYK (0.71) SYKJAK1JAK2
SCHEMBL4769132 0.75 SYK (0.64) SYKLRRK2JAK1JAK2
SCHEMBL4768983 0.75 AURKA (0.53) SYKLRRK2AURKARETFLT3
SCHEMBL4765289 0.73 CCNA2 (0.57) SYK

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
EP-1303496-B9 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2008-03-19 EP disclosed
EP-1303496-B1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-09-12 EP disclosed