SCHEMBL4773508

SCHEMBL4773508

CC(C)(C)NC(=O)c1cnc(Nc2ccc(S(=O)(=O)NCC3CCCO3)cc2)nc1N1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.51
CDK2 P24941 1/20 0.51
CCNA1 P78396 1/20 0.51
POLB P06746 5/20 0.50
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
HSD17B10 Q99714 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 5/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 2/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 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
SCHEMBL4765176 0.85 CCNA2 (0.53) CCNA2CDK2CCNA1POLBKMT2A
SCHEMBL4773869 0.85 SYK (0.56) CCNA2CDK2CCNA1POLBKMT2A
SCHEMBL4768244 0.84 CCNA2 (0.52) CCNA2CDK2CCNA1POLBKMT2A
SCHEMBL4765205 0.83 CCNA2 (0.51) CCNA2CDK2CCNA1POLBKMT2A
SCHEMBL4769938 0.82 POLB (0.49) CCNA2CDK2CCNA1POLBKMT2A
SCHEMBL4766601 0.82 CCNA2 (0.58) CCNA2CDK2CCNA1POLBKMT2A
SCHEMBL4765976 0.81 CCNA2 (0.49) CCNA2CDK2CCNA1POLBKMT2A
SCHEMBL4772150 0.80 POLB (0.47) CCNA2CDK2CCNA1POLBKMT2A
SCHEMBL4773582 0.80 POLB (0.50) CCNA2CDK2CCNA1POLBKMT2A
SCHEMBL4770569 0.78 CCNA2 (0.46) CCNA2CDK2CCNA1POLBKMT2A

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