SCHEMBL9199779

SCHEMBL9199779

c1nc(OCC2CC2)c2[nH]cnc2n1

nearest known ligand 0.86

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 13/20 0.86
CDK1 P06493 12/20 0.86
CCNB1 P14635 11/20 0.56
CCNA2 P20248 11/20 0.56
CCNA1 P78396 11/20 0.56
PDPK1 O15530 1/20 0.56
CCNB2 O95067 9/20 0.55
CCNB3 Q8WWL7 9/20 0.55
MAPK3 P27361 1/20 0.55
CLK1 P49759 1/20 0.55
CDK5 Q00535 1/20 0.55
PIN1 Q13526 1/20 0.55
MAP3K5 Q99683 1/20 0.55
CDC7 O00311 3/20 0.54
DBF4 Q9UBU7 3/20 0.54
LMNA P02545 2/20 0.47
AKT2 P31751 1/20 0.46
HTT P42858 1/20 0.44
PAK1 Q13153 1/20 0.44

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
SCHEMBL6268103 0.92 CDK2 (1.00) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL3388864 0.76 PDPK1 (0.68) CDK2CDK1PDPK1MAP3K5CDC7
SCHEMBL8939264 0.74 CDK1 (0.62) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL8826284 0.74 CDK2 (0.51) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL9094494 0.73 PDPK1 (0.64) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL7830573 0.73 CDK1 (0.56) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL9204254 0.73 CDK1 (0.65) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL6270509 0.72 CDK2 (0.61) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL9197744 0.72 PDPK1 (0.62) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL6266042 0.72 CDK2 (1.00) CDK2CDK1CCNB1CCNA2CCNA1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2129126-A None JP disclosed
EP-0286425-B1 Therapeutic nucleosides WELLCOME FOUND (GB) 1995-01-11 EP disclosed
US-5185437-A 6-substituted 2',3'-dideoxypurine nucleosides; treatment for human immunodeficiency virus and heptatis b virus BURROUGHS WELLCOME CO. (US) 1993-02-09 US disclosed
US-5068320-A 2-amino-6-(cyclopropylamino)purine-9-β-D-2',3'-dideoxyribofuranoside and its pharmaceutically acceptable salts BURROUGHS WELLCOME CO. (US) 1991-11-26 US disclosed
EP-0421819-A1 Therapeutic nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1991-04-10 EP disclosed
JP-H02129126-A NUCLEOSIDE FOR CURING WELLCOME FOUND LTD:THE 1990-05-17 JP disclosed
EP-0366287-A1 Therapeutic nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1990-05-02 EP disclosed
EP-0286425-A2 Therapeutic nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1988-10-12 EP disclosed