SCHEMBL4774057

SCHEMBL4774057

CS(=O)(=O)c1ccc(Nc2ncc(C#N)c(NCC3CC3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 5/20 0.56
SYK P43405 5/20 0.52
AURKA O14965 1/20 0.47
PTK2 Q05397 2/20 0.46
KCNH2 Q12809 1/20 0.46
PTK2B Q14289 1/20 0.46
CHEK1 O14757 2/20 0.45
TBK1 Q9UHD2 1/20 0.44
LRRK2 Q5S007 1/20 0.44
KDR P35968 2/20 0.43
CDK2 P24941 2/20 0.43
CDK1 P06493 1/20 0.43
CCNE2 O96020 1/20 0.42
CCNE1 P24864 1/20 0.42

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
SCHEMBL4774317 0.87 AURKA (0.53) SYKAURKAPTK2KCNH2PTK2B
SCHEMBL4766065 0.84 AURKA (0.50) SYKAURKAPTK2PTK2BCHEK1
SCHEMBL4764044 0.84 SYK (0.66) SYKAURKAPTK2KCNH2PTK2B
SCHEMBL4772582 0.83 AURKA (0.52) SYKAURKAPTK2KDRCDK2
SCHEMBL4766388 0.83 AURKA (0.49) SYKAURKAPTK2KDRCDK2
SCHEMBL4766530 0.82 AURKA (0.55) SYKAURKALRRK2KDRCDK2
SCHEMBL4769260 0.82 CA2 (0.48) SYKAURKAPTK2CHEK1KDR
SCHEMBL4770586 0.81 CCNA2 (0.59) PRKCQCHEK1CDK2
SCHEMBL4768983 0.78 AURKA (0.53) PRKCQSYKAURKAPTK2PTK2B
SCHEMBL4773980 0.77 AURKA (0.52) PRKCQSYKAURKAPTK2PTK2B

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