SCHEMBL2913007

SCHEMBL2913007

CCC(CO)Nc1nc(NCc2ccc(O)c(O)c2)c2n[nH]c(C(C)C)c2n1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 14/20 0.75
CCNE1 P24864 13/20 0.75
CDK5 Q00535 10/20 0.75
CDK9 P50750 5/20 0.75
CDK7 P50613 4/20 0.75
CCNT1 O60563 3/20 0.75
CCNH P51946 2/20 0.75
CDK5R1 Q15078 2/20 0.75
CCNE2 O96020 3/20 0.67
AURKA O14965 1/20 0.67
CCNK O75909 2/20 0.51
CDK12 Q9NYV4 2/20 0.51
CDK1 P06493 8/20 0.49
CCNB2 O95067 4/20 0.49
CCNB1 P14635 4/20 0.49
CCNB3 Q8WWL7 4/20 0.49
CCNT2 O60583 1/20 0.46
CSNK1D P48730 2/20 0.46
CLK2 P49760 2/20 0.46
CSNK1G2 P78368 2/20 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
SCHEMBL2913193 0.86 CDK2 (1.00) CDK2CCNE1CDK5CDK9CDK7
SCHEMBL2913185 0.86 CDK2 (1.00) CDK2CCNE1CDK5CDK9CDK7
SCHEMBL2913009 0.84 CDK2 (0.53) CDK2CCNE1CDK5CDK9CDK7
SCHEMBL2907511 0.81 CDK2 (0.72) CDK2CCNE1CDK5CDK9CDK7
SCHEMBL2907521 0.81 CDK2 (0.72) CDK2CCNE1CDK5CDK9CDK7
SCHEMBL2907920 0.77 CDK1 (0.81) CDK2CCNE1CDK5CDK9CDK7
SCHEMBL2908697 0.71 CDK2 (0.52) CDK2CCNE1CDK5CDK9CDK7
SCHEMBL2908707 0.71 CDK2 (0.52) CDK2CCNE1CDK5CDK9CDK7
SCHEMBL2912940 0.70 CDK2 (0.51) CDK2CCNE1CDK5CDK9CDK7
SCHEMBL2912923 0.70 CDK2 (0.51) CDK2CCNE1CDK5CDK9CDK7

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-1348707-B1 Pyrazolo[4,3-d]pyrimidines, processes for their preparation and methods for therapy USTAV EX BOTAN AV CR V V I I O (CZ) 2010-08-25 EP disclosed
EP-1348707-A1 Pyrazolo[4,3-d]pyrimidines, processes for their preparation and methods for therapy Ustav Experimentalni Botaniky AV CR (Institute of Experimental Botany Academy of Sciences of the Czech Republic) (CZ) 2003-10-01 EP disclosed