SCHEMBL4765976

SCHEMBL4765976

COC(=O)CCNc1nc(Nc2ccc(S(=O)(=O)NCC3CCCO3)cc2)ncc1C(=O)NC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.49
CDK2 P24941 1/20 0.49
CCNA1 P78396 1/20 0.49
POLB P06746 5/20 0.48
ALDH1A1 P00352 3/20 0.47
MAPT P10636 1/20 0.47
SYK P43405 1/20 0.47
TNK2 Q07912 2/20 0.45
KMT2A Q03164 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CASP6 P55212 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
SCHEMBL4769938 0.90 POLB (0.49) CCNA2CDK2CCNA1POLBALDH1A1
SCHEMBL4768244 0.89 CCNA2 (0.52) CCNA2CDK2CCNA1POLBALDH1A1
SCHEMBL4773869 0.87 SYK (0.56) CCNA2CDK2CCNA1POLBSYK
SCHEMBL4770569 0.86 CCNA2 (0.46) CCNA2CDK2CCNA1POLBALDH1A1
SCHEMBL4766555 0.85 CCNA2 (0.53) CCNA2CDK2CCNA1POLBALDH1A1
SCHEMBL4765176 0.85 CCNA2 (0.53) CCNA2CDK2CCNA1POLBSYK
SCHEMBL4773582 0.84 POLB (0.50) CCNA2CDK2CCNA1POLBALDH1A1
SCHEMBL4773508 0.81 CCNA2 (0.51) CCNA2CDK2CCNA1POLBALDH1A1
SCHEMBL4765205 0.81 CCNA2 (0.51) CCNA2CDK2CCNA1POLBALDH1A1
SCHEMBL4772150 0.79 POLB (0.47) 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