SCHEMBL4772623

SCHEMBL4772623

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

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SYK P43405 16/20 0.54
CHEK1 O14757 1/20 0.42
LRRK2 Q5S007 2/20 0.41
AURKA O14965 1/20 0.41
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
JAK3 P52333 1/20 0.39

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
SCHEMBL4769208 0.97 SYK (0.53) SYKCHEK1LRRK2AURKA
SCHEMBL4775395 0.86 SYK (0.60) SYKCHEK1LRRK2AURKAJAK2
SCHEMBL4763434 0.85 SYK (0.67) SYKCHEK1LRRK2AURKAJAK2
SCHEMBL4770588 0.82 SYK (0.56) SYKCHEK1LRRK2AURKAJAK2
SCHEMBL4764044 0.81 SYK (0.66) SYKLRRK2AURKAJAK2JAK1
SCHEMBL4766314 0.79 SYK (0.71) SYKJAK2JAK1
SCHEMBL4769132 0.77 SYK (0.64) SYKLRRK2JAK2JAK1
SCHEMBL5723394 0.77 CDK2 (0.49) SYKCHEK1
SCHEMBL4770106 0.75 SYK (0.53) SYKJAK2JAK1
SCHEMBL4764141 0.74 CDK2 (0.53) SYKLRRK2AURKA

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