SCHEMBL4768244

SCHEMBL4768244

CC(C)(C)NC(=O)c1cnc(Nc2ccc(S(=O)(=O)NCC3CCCO3)cc2)nc1NCC1CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.52
CDK2 P24941 1/20 0.52
CCNA1 P78396 1/20 0.52
POLB P06746 4/20 0.51
TNK2 Q07912 5/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
SYK P43405 1/20 0.46
CASP6 P55212 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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) CCNA2CDK2CCNA1POLBTNK2
SCHEMBL4773869 0.90 SYK (0.56) CCNA2CDK2CCNA1POLBMEN1
SCHEMBL4765976 0.89 CCNA2 (0.49) CCNA2CDK2CCNA1POLBTNK2
SCHEMBL4765176 0.89 CCNA2 (0.53) CCNA2CDK2CCNA1POLBMEN1
SCHEMBL4773582 0.88 POLB (0.50) CCNA2CDK2CCNA1POLBTNK2
SCHEMBL4770569 0.86 CCNA2 (0.46) CCNA2CDK2CCNA1POLBTNK2
SCHEMBL4773508 0.84 CCNA2 (0.51) CCNA2CDK2CCNA1POLBMEN1
SCHEMBL4765205 0.82 CCNA2 (0.51) CCNA2CDK2CCNA1POLBMEN1
SCHEMBL4770586 0.81 CCNA2 (0.59) CCNA2CDK2CCNA1POLBTNK2
SCHEMBL4772150 0.81 POLB (0.47) CCNA2CDK2CCNA1POLBMEN1

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