SCHEMBL2913249

SCHEMBL2913249

CC(C)c1[nH]nc2c(NCc3ccccc3)nc(NCCCO)nc12

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 18/20 0.68
CCNE1 P24864 15/20 0.68
CDK5 Q00535 14/20 0.68
CDK5R1 Q15078 3/20 0.68
CDK9 P50750 3/20 0.68
CCNT1 O60563 2/20 0.68
CDK7 P50613 2/20 0.68
CCNH P51946 1/20 0.68
CDK1 P06493 5/20 0.60
CCNB1 P14635 4/20 0.60
CDK4 P11802 2/20 0.60
CCNA2 P20248 2/20 0.60
CCND1 P24385 2/20 0.60
CDK6 Q00534 1/20 0.60
CCNB2 O95067 2/20 0.59
CCNB3 Q8WWL7 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
AURKA O14965 1/20 0.52
CCNE2 O96020 1/20 0.52

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
SCHEMBL2910732 0.89 CDK2 (0.67) CDK2CCNE1CDK5CDK5R1CDK9
SCHEMBL2912811 0.88 CDK2 (0.64) CDK2CCNE1CDK5CDK5R1CDK9
SCHEMBL2910993 0.87 CDK2 (0.75) CDK2CCNE1CDK5CDK5R1CDK9
SCHEMBL2912269 0.82 CDK2 (0.65) CDK2CCNE1CDK5CDK5R1CDK9
SCHEMBL2910610 0.82 CDK2 (0.49) CDK2CCNE1CDK5CDK5R1CDK9
SCHEMBL2913251 0.82 CDK1 (0.58) CDK2CCNE1CDK5CDK5R1CDK9
SCHEMBL2913193 0.81 CDK2 (1.00) CDK2CCNE1CDK5CDK5R1CDK9
SCHEMBL2913185 0.81 CDK2 (1.00) CDK2CCNE1CDK5CDK5R1CDK9
SCHEMBL2911502 0.79 CDK1 (0.67) CDK2CCNE1CDK5CDK5R1CDK9
SCHEMBL3725652 0.79 CDK2 (0.62) CDK2CCNE1CDK5CDK5R1CDK9

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