SCHEMBL4772085

SCHEMBL4772085

CCN(CC)c1nc(Nc2ccc(S(=O)(=O)NCC3CCCO3)cc2)ncc1C#N

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.56
CDK2 P24941 1/20 0.56
CCNA1 P78396 1/20 0.56
POLB P06746 5/20 0.50
ALDH1A1 P00352 6/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
NR2F2 P24468 1/20 0.48
RAB9A P51151 1/20 0.48
NPC1 O15118 1/20 0.47
SLC12A2 P55011 1/20 0.47
SLC12A5 Q9H2X9 1/20 0.47
CXCR4 P61073 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 4/20 0.45
HTT P42858 2/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 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
SCHEMBL4772639 0.90 CCNA2 (0.57) CCNA2CDK2CCNA1POLBALDH1A1
SCHEMBL4772200 0.90 CCNA2 (0.54) CCNA2CDK2CCNA1POLBALDH1A1
SCHEMBL4772696 0.87 CCNA2 (0.53) CCNA2CDK2CCNA1POLBALDH1A1
SCHEMBL4772147 0.86 CCNA2 (0.52) CCNA2CDK2CCNA1POLBALDH1A1
SCHEMBL6220525 0.85 CCNA2 (0.60) CCNA2CDK2CCNA1POLBALDH1A1
SCHEMBL4766348 0.84 CCNA2 (0.59) CCNA2CDK2CCNA1POLBALDH1A1
SCHEMBL4765258 0.83 CCNA2 (0.50) CCNA2CDK2CCNA1POLBALDH1A1
SCHEMBL4766601 0.83 CCNA2 (0.58) CCNA2CDK2CCNA1POLBALDH1A1
SCHEMBL4765289 0.83 CCNA2 (0.57) CCNA2CDK2CCNA1POLBALDH1A1
SCHEMBL4774308 0.83 CCNA2 (0.54) CCNA2CDK2CCNA1POLBALDH1A1

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