SCHEMBL4766554

SCHEMBL4766554

C=CCNS(=O)(=O)c1ccc(Nc2ncc(C#N)c(NCC)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.46
CDK2 P24941 3/20 0.43
CCNT1 O60563 2/20 0.43
CCNA2 P20248 2/20 0.43
CDK9 P50750 2/20 0.43
CCNA1 P78396 2/20 0.43
KDR P35968 5/20 0.42
CDK1 P06493 4/20 0.42
PRKCQ Q04759 1/20 0.42
CA2 P00918 1/20 0.41
SYK P43405 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LRRK2 Q5S007 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
CASP1 P29466 2/20 0.38

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
SCHEMBL4772099 0.87 CA2 (0.52) AURKACDK2CCNT1CCNA2CDK9
SCHEMBL4763589 0.86 AURKA (0.51) AURKACDK2CCNT1CCNA2CDK9
SCHEMBL4768143 0.86 SYK (0.53) AURKACDK2CCNT1CCNA2CDK9
SCHEMBL4772198 0.86 AURKA (0.46) AURKACDK2CCNT1CCNA2CDK9
SCHEMBL6220297 0.85 RAB9A (0.56) AURKACDK2CCNT1CCNA2CDK9
SCHEMBL4766260 0.84 SYK (0.55) AURKACDK2CCNT1CCNA2CDK9
SCHEMBL4772264 0.84 AURKA (0.47) AURKACDK2CCNT1CCNA2CDK9
SCHEMBL4774317 0.84 AURKA (0.53) AURKACDK2CCNT1CCNA2CDK9
SCHEMBL4768983 0.84 AURKA (0.53) AURKACDK2CCNT1CCNA2CDK9
SCHEMBL4763519 0.83 AURKA (0.47) AURKACDK2CCNT1CCNA2CDK9

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