SCHEMBL4766530

SCHEMBL4766530

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

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.55
CDK2 P24941 9/20 0.53
CCNA2 P20248 5/20 0.53
CCNT1 O60563 3/20 0.53
CDK9 P50750 3/20 0.53
CCNA1 P78396 2/20 0.53
CDK1 P06493 7/20 0.49
CCNB1 P14635 1/20 0.49
CDK7 P50613 1/20 0.49
CCNH P51946 1/20 0.49
SYK P43405 3/20 0.48
LRRK2 Q5S007 3/20 0.48
KDR P35968 6/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
JAK1 P23458 1/20 0.44
JAK3 P52333 1/20 0.44

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 0.88 AURKA (0.53) AURKACDK2CCNA2CCNT1CDK9
SCHEMBL4766065 0.85 AURKA (0.50) AURKACDK2CCNA2CCNT1CDK9
SCHEMBL4764044 0.85 SYK (0.66) AURKACDK2SYKLRRK2JAK1
SCHEMBL4772582 0.84 AURKA (0.52) AURKACDK2CCNA2CCNT1CDK9
SCHEMBL4766388 0.84 AURKA (0.49) AURKACDK2CCNA2CCNT1CDK9
SCHEMBL4769260 0.83 CA2 (0.48) AURKACDK2CCNA2CCNT1CDK9
SCHEMBL4774057 0.82 PRKCQ (0.56) AURKACDK2CDK1SYKLRRK2
SCHEMBL4772627 0.79 CDK2 (0.51) AURKACDK2CCNA2CCNT1CDK9
SCHEMBL4763589 0.79 AURKA (0.51) AURKACDK2CCNA2CCNT1CDK9
SCHEMBL4768983 0.78 AURKA (0.53) AURKACDK2CCNA2CCNT1CDK9

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