SCHEMBL4772582

SCHEMBL4772582

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.52
CDK1 P06493 7/20 0.51
KDR P35968 7/20 0.51
SYK P43405 3/20 0.47
PTK2 Q05397 2/20 0.46
CDK2 P24941 7/20 0.46
CCNA2 P20248 4/20 0.46
CCNA1 P78396 3/20 0.46
MAPK8 P45983 1/20 0.44
MAPK9 P45984 1/20 0.44
CA2 P00918 2/20 0.43
CCNT1 O60563 2/20 0.43
CDK9 P50750 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CDK4 P11802 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
SCHEMBL4766065 0.90 AURKA (0.50) AURKACDK1KDRSYKPTK2
SCHEMBL4774317 0.89 AURKA (0.53) AURKACDK1KDRSYKPTK2
SCHEMBL4769260 0.88 CA2 (0.48) AURKACDK1KDRSYKPTK2
SCHEMBL4766388 0.85 AURKA (0.49) AURKACDK1KDRSYKPTK2
SCHEMBL4768143 0.84 SYK (0.53) AURKACDK1KDRSYKCDK2
SCHEMBL4766530 0.84 AURKA (0.55) AURKACDK1KDRSYKCDK2
SCHEMBL4774057 0.83 PRKCQ (0.56) AURKACDK1KDRSYKPTK2
SCHEMBL4768983 0.80 AURKA (0.53) AURKACDK1KDRSYKPTK2
SCHEMBL4764044 0.79 SYK (0.66) AURKASYKPTK2CDK2
SCHEMBL4763724 0.79 CA2 (0.47) AURKACDK1KDRSYKCDK2

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