SCHEMBL2913251

SCHEMBL2913251

CC(C)c1n[nH]c2c(NCc3ccccc3)nc(NCCCO)nc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 12/20 0.58
CDK2 P24941 8/20 0.58
CCNB1 P14635 8/20 0.58
CCNB2 O95067 5/20 0.58
CCNB3 Q8WWL7 5/20 0.58
TDP1 Q9NUW8 3/20 0.58
CDK5 Q00535 4/20 0.50
CSNK1D P48730 1/20 0.50
CLK2 P49760 1/20 0.50
DYRK1A Q13627 1/20 0.50
HIPK4 Q8NE63 1/20 0.50
SRPK1 Q96SB4 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
CCNE1 P24864 4/20 0.46
CDK5R1 Q15078 2/20 0.46
CCNT1 O60563 1/20 0.46
CDK7 P50613 1/20 0.46
CDK9 P50750 1/20 0.46
CCNH P51946 1/20 0.46
KDM4E B2RXH2 2/20 0.45

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
SCHEMBL2910733 0.89 CDK2 (0.52) CDK1CDK2CCNB1CCNB2CCNB3
SCHEMBL2912812 0.88 PPARG (0.49) CDK1CDK2CCNB1CCNB2CCNB3
SCHEMBL2910995 0.87 CDK2 (0.52) CDK1CDK2CCNB1CCNB2CCNB3
SCHEMBL2912272 0.83 CDK2 (0.51) CDK1CDK2CCNB1CCNB2CCNB3
SCHEMBL2910614 0.82 PPARG (0.45) CDK1CDK2CCNB1CCNB2CCNB3
SCHEMBL2913249 0.82 CDK2 (0.68) CDK1CDK2CCNB1CCNB2CCNB3
SCHEMBL2913189 0.81 CDK2 (0.70) CDK1CDK2CCNB1CCNB2CCNB3
SCHEMBL2911505 0.79 NPY5R (0.50) CDK1CDK2CCNB1CCNB2CCNB3
SCHEMBL3720176 0.79 TACR2 (0.49) CDK1CDK2CCNB1CCNB2CCNB3
SCHEMBL3725653 0.79 CDK2 (0.46) CDK1CDK2CCNB1CCNB2CCNB3

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