SCHEMBL4773582

SCHEMBL4773582

CC(C)(C)NC(=O)c1cnc(Nc2ccc(S(=O)(=O)NCC3CCCO3)cc2)nc1NCc1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.50
MERTK Q12866 1/20 0.47
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
CCNA1 P78396 1/20 0.46
PTK2 Q05397 1/20 0.46
TNK2 Q07912 3/20 0.46
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
NAMPT P43490 1/20 0.43
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 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
SCHEMBL4768244 0.88 CCNA2 (0.52) POLBCCNA2CDK2CCNA1TNK2
SCHEMBL4769938 0.86 POLB (0.49) POLBMERTKCCNA2CDK2CCNA1
SCHEMBL4773869 0.85 SYK (0.56) POLBMERTKCCNA2CDK2CCNA1
SCHEMBL4765976 0.84 CCNA2 (0.49) POLBCCNA2CDK2CCNA1TNK2
SCHEMBL4765176 0.84 CCNA2 (0.53) POLBMERTKCCNA2CDK2CCNA1
SCHEMBL4768919 0.83 CCNA2 (0.52) POLBCCNA2CDK2CCNA1PTK2
SCHEMBL4770569 0.82 CCNA2 (0.46) POLBCCNA2CDK2CCNA1TNK2
SCHEMBL4773508 0.80 CCNA2 (0.51) POLBCCNA2CDK2CCNA1LMNA
SCHEMBL4765205 0.78 CCNA2 (0.51) POLBCCNA2CDK2CCNA1LMNA
SCHEMBL4772150 0.77 POLB (0.47) POLBCCNA2CDK2CCNA1LMNA

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