SCHEMBL4774317

SCHEMBL4774317

CCNc1nc(Nc2ccc(S(C)(=O)=O)cc2)ncc1C#N

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.53
SYK P43405 3/20 0.47
CDK1 P06493 5/20 0.47
KDR P35968 4/20 0.47
CA2 P00918 1/20 0.47
PTK2 Q05397 4/20 0.47
CDK2 P24941 8/20 0.46
CCNA2 P20248 3/20 0.46
CCNT1 O60563 1/20 0.46
CDK9 P50750 1/20 0.46
CCNA1 P78396 1/20 0.46
MARK3 P27448 1/20 0.44
PTK2B Q14289 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL4766065 0.92 AURKA (0.50) AURKASYKCDK1KDRCA2
SCHEMBL4768983 0.91 AURKA (0.53) AURKASYKCDK1KDRCA2
SCHEMBL4769260 0.90 CA2 (0.48) AURKASYKCDK1KDRCA2
SCHEMBL4773980 0.89 AURKA (0.52) AURKASYKCDK1KDRCA2
SCHEMBL4766388 0.89 AURKA (0.49) AURKASYKCDK1KDRCA2
SCHEMBL4772582 0.89 AURKA (0.52) AURKASYKCDK1KDRCA2
SCHEMBL4763589 0.88 AURKA (0.51) AURKASYKCDK1KDRCA2
SCHEMBL4766530 0.88 AURKA (0.55) AURKASYKCDK1KDRCDK2
SCHEMBL4774057 0.87 PRKCQ (0.56) AURKASYKCDK1KDRPTK2
SCHEMBL4772099 0.85 CA2 (0.52) AURKASYKCDK1KDRCA2

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