SCHEMBL4773869

SCHEMBL4773869

CC(C)(C)NC(=O)c1cnc(Nc2ccc(S(=O)(=O)NCC3CCCO3)cc2)nc1NC1CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SYK P43405 12/20 0.56
POLB P06746 3/20 0.51
CCNA2 P20248 1/20 0.51
CDK2 P24941 1/20 0.51
CCNA1 P78396 1/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MERTK Q12866 1/20 0.47

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 0.97 CCNA2 (0.53) SYKPOLBCCNA2CDK2CCNA1
SCHEMBL4768244 0.90 CCNA2 (0.52) SYKPOLBCCNA2CDK2CCNA1
SCHEMBL4769938 0.88 POLB (0.49) POLBCCNA2CDK2CCNA1MEN1
SCHEMBL4765976 0.87 CCNA2 (0.49) SYKPOLBCCNA2CDK2CCNA1
SCHEMBL4773582 0.85 POLB (0.50) POLBCCNA2CDK2CCNA1MEN1
SCHEMBL4773508 0.85 CCNA2 (0.51) POLBCCNA2CDK2CCNA1MEN1
SCHEMBL4770569 0.84 CCNA2 (0.46) SYKPOLBCCNA2CDK2CCNA1
SCHEMBL4765205 0.83 CCNA2 (0.51) POLBCCNA2CDK2CCNA1MEN1
SCHEMBL4772150 0.82 POLB (0.47) POLBCCNA2CDK2CCNA1MEN1
SCHEMBL4765289 0.81 CCNA2 (0.57) SYKPOLBCCNA2CDK2CCNA1

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