SCHEMBL2907960

SCHEMBL2907960

CC(C)c1[nH]nc2c(N[C@H](CO)c3ccccc3)nc(NCC(O)CO)nc12

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 17/20 0.59
CCNE1 P24864 15/20 0.59
CDK5 Q00535 15/20 0.59
CDK9 P50750 3/20 0.54
CDK5R1 Q15078 3/20 0.54
CDK7 P50613 2/20 0.54
CCNT1 O60563 2/20 0.54
CCNH P51946 1/20 0.54
CDK1 P06493 6/20 0.49
CCNE2 O96020 2/20 0.48
AURKA O14965 1/20 0.48
CCNB1 P14635 3/20 0.43
CDK4 P11802 2/20 0.43
CCNA2 P20248 2/20 0.43
CCND1 P24385 2/20 0.43
CDK6 Q00534 1/20 0.43
CCNB2 O95067 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41

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
SCHEMBL2907947 1.00 CDK2 (0.59) CDK2CCNE1CDK5CDK9CDK5R1
SCHEMBL2914183 0.84 CDK2 (0.53) CDK2CCNE1CDK5CDK9CDK5R1
SCHEMBL2907954 0.84 CDK2 (0.45) CDK2CCNE1CDK5CDK9CDK5R1
SCHEMBL2911930 0.75 CCNE1 (0.56) CDK2CCNE1CDK5CDK9CDK5R1
SCHEMBL2912269 0.71 CDK2 (0.65) CDK2CCNE1CDK5CDK9CDK5R1
SCHEMBL2913193 0.70 CDK2 (1.00) CDK2CCNE1CDK5CDK9CDK5R1
SCHEMBL2913185 0.70 CDK2 (1.00) CDK2CCNE1CDK5CDK9CDK5R1
SCHEMBL2913249 0.69 CDK2 (0.68) CDK2CCNE1CDK5CDK9CDK5R1
SCHEMBL6016588 0.69 CDK1 (0.71) CDK2CCNE1CDK5CDK9CDK5R1
SCHEMBL6016540 0.69 CDK1 (0.71) CDK2CCNE1CDK5CDK9CDK5R1

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