SCHEMBL2907507

SCHEMBL2907507

CC(=O)c1ccccc1CNc1nc(NC2CCCCC2N)nc2c(C(C)C)nn(C(C)C)c12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.47
CCNA2 P20248 3/20 0.47
CDK4 P11802 3/20 0.47
CDK5 Q00535 2/20 0.47
CDK1 P06493 2/20 0.47
CCNB1 P14635 2/20 0.47
CCND1 P24385 1/20 0.47
CDK5R1 Q15078 1/20 0.47
CCNE1 P24864 4/20 0.46
CCNE2 O96020 3/20 0.46
CCNT1 O60563 1/20 0.46
CCNT2 O60583 1/20 0.46
CDK9 P50750 1/20 0.46
CCNA1 P78396 2/20 0.43
CLK1 P49759 3/20 0.39
CLK2 P49760 3/20 0.39
CLK4 Q9HAZ1 3/20 0.39
CCND3 P30281 2/20 0.39
SYK P43405 12/20 0.38

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
SCHEMBL2912689 0.89 CDK2 (0.49) CDK2CCNA2CDK4CDK5CDK1
SCHEMBL2912755 0.88 CDK2 (0.50) CDK2CCNA2CDK4CDK5CDK1
SCHEMBL2912806 0.87 CDK2 (0.46) CDK2CCNA2CDK4CDK5CDK1
SCHEMBL2905018 0.85 CDK2 (0.64) CDK2CCNA2CDK4CDK5CDK1
SCHEMBL2907818 0.85 CDK2 (0.49) CDK2CCNA2CDK4CDK5CDK1
SCHEMBL2908783 0.84 CDK2 (0.48) CDK2CCNA2CDK4CDK5CDK1
SCHEMBL2912355 0.82 CDK2 (0.48) CDK2CCNA2CDK4CDK5CDK1
SCHEMBL2912973 0.82 CDK2 (0.38) CDK2CCNA2CDK5CDK1CCNB1
SCHEMBL2911898 0.81 CDK2 (0.44) CDK2CDK5CDK1CCNB1CDK5R1
SCHEMBL2911079 0.81 CDK2 (0.57) CDK2CCNA2CDK4CDK5CDK1

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 3 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
US-7745450-B2 Pyrazolo[4,3-d]pyrimidines, processes for their preparation and methods for therapy INSTITUTE OF EXPERIMENTAL BOTANY (CZ) 2010-06-29 US 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