SCHEMBL4766388

SCHEMBL4766388

CC(C)CNc1nc(Nc2ccc(S(C)(=O)=O)cc2)ncc1C#N

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.49
CDK2 P24941 9/20 0.45
CDK1 P06493 8/20 0.45
KDR P35968 7/20 0.45
SYK P43405 3/20 0.45
PTK2 Q05397 2/20 0.44
MARK3 P27448 1/20 0.44
CA2 P00918 2/20 0.43
CCNA2 P20248 2/20 0.43
PDE5A O76074 2/20 0.43
CCNT1 O60563 2/20 0.43
CDK9 P50750 2/20 0.43
CCNA1 P78396 1/20 0.43
CDK4 P11802 2/20 0.42
CCNB1 P14635 1/20 0.42
CCNE1 P24864 1/20 0.42
CCND1 P24385 1/20 0.42
CDK7 P50613 1/20 0.42
CCNH P51946 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 0.89 AURKA (0.53) AURKACDK2CDK1KDRSYK
SCHEMBL4766065 0.86 AURKA (0.50) AURKACDK2CDK1KDRSYK
SCHEMBL4772582 0.85 AURKA (0.52) AURKACDK2CDK1KDRSYK
SCHEMBL4766530 0.84 AURKA (0.55) AURKACDK2CDK1KDRSYK
SCHEMBL4769260 0.84 CA2 (0.48) AURKACDK2CDK1KDRSYK
SCHEMBL4774057 0.83 PRKCQ (0.56) AURKACDK2CDK1KDRSYK
SCHEMBL4768983 0.80 AURKA (0.53) AURKACDK2CDK1KDRSYK
SCHEMBL4764044 0.79 SYK (0.66) AURKACDK2SYKPTK2CCNE1
SCHEMBL4773980 0.79 AURKA (0.52) AURKACDK2CDK1KDRSYK
SCHEMBL4772264 0.79 AURKA (0.47) AURKACDK2CDK1KDRSYK

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