SCHEMBL4769208

SCHEMBL4769208

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

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SYK P43405 16/20 0.53
CHEK1 O14757 1/20 0.41
LRRK2 Q5S007 2/20 0.41
AURKA O14965 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
SCHEMBL4772623 0.97 SYK (0.54) SYKCHEK1LRRK2AURKA
SCHEMBL4775395 0.85 SYK (0.60) SYKCHEK1LRRK2AURKA
SCHEMBL4763434 0.84 SYK (0.67) SYKCHEK1LRRK2AURKA
SCHEMBL4770588 0.81 SYK (0.56) SYKCHEK1LRRK2AURKA
SCHEMBL4764044 0.80 SYK (0.66) SYKLRRK2AURKA
SCHEMBL5723394 0.80 CDK2 (0.49) SYKCHEK1
SCHEMBL4766314 0.78 SYK (0.71) SYK
SCHEMBL4769132 0.77 SYK (0.64) SYKLRRK2
SCHEMBL4770106 0.74 SYK (0.53) SYK
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