SCHEMBL4765252

SCHEMBL4765252

CCCCOC(=O)CNc1nc(Nc2ccc(S(=O)(=O)NCC3CCCO3)cc2)ncc1C#N

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.50
CDK2 P24941 1/20 0.50
CCNA1 P78396 1/20 0.50
POLB P06746 5/20 0.46
NPC1 O15118 1/20 0.44
KMT2A Q03164 4/20 0.43
LMNA P02545 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HTT P42858 3/20 0.43
HSD17B10 Q99714 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CXCR4 P61073 1/20 0.43
MEN1 O00255 3/20 0.42
TNK2 Q07912 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
SCHEMBL4774308 0.87 CCNA2 (0.54) CCNA2CDK2CCNA1POLBNPC1
SCHEMBL4770569 0.86 CCNA2 (0.46) CCNA2CDK2CCNA1POLBNPC1
SCHEMBL4766348 0.85 CCNA2 (0.59) CCNA2CDK2CCNA1POLBNPC1
SCHEMBL4766555 0.85 CCNA2 (0.53) CCNA2CDK2CCNA1POLBNPC1
SCHEMBL4765258 0.84 CCNA2 (0.50) CCNA2CDK2CCNA1POLBNPC1
SCHEMBL4770586 0.83 CCNA2 (0.59) CCNA2CDK2CCNA1POLBNPC1
SCHEMBL4770109 0.81 CCNA2 (0.55) CCNA2CDK2CCNA1POLBNPC1
SCHEMBL4772160 0.81 CCNA2 (0.53) CCNA2CDK2CCNA1POLBNPC1
SCHEMBL4775363 0.81 CCNA2 (0.54) CCNA2CDK2CCNA1POLBNPC1
SCHEMBL4765289 0.80 CCNA2 (0.57) CCNA2CDK2CCNA1POLBNPC1

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