SCHEMBL8939264

SCHEMBL8939264

c1nc(OC2CCCC2)c2[nH]cnc2n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.62
CDK2 P24941 2/20 0.62
PDPK1 O15530 1/20 0.56
HTT P42858 7/20 0.55
LMNA P02545 6/20 0.55
PAK1 Q13153 1/20 0.55
PKM P14618 1/20 0.54
HSD17B10 Q99714 1/20 0.54
JAK3 P52333 2/20 0.49
CDC7 O00311 2/20 0.47
DBF4 Q9UBU7 2/20 0.47
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
PI4KA P42356 2/20 0.43
PI4K2B Q8TCG2 2/20 0.43
PI4K2A Q9BTU6 2/20 0.43
PI4KB Q9UBF8 2/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL9204254 0.98 CDK1 (0.65) CDK1CDK2PDPK1HTTLMNA
SCHEMBL6268103 0.77 CDK2 (1.00) CDK1CDK2PDPK1HTTLMNA
SCHEMBL9199779 0.74 CDK2 (0.86) CDK1CDK2PDPK1HTTLMNA
SCHEMBL9204849 0.74 JAK3 (0.56) CDK1CDK2HTTLMNAPAK1
SCHEMBL9682544 0.74 CDK1 (0.63) CDK1CDK2PDPK1MAP3K5CCNB1
SCHEMBL9204246 0.73 JAK3 (0.58) CDK1CDK2HTTLMNAPAK1
SCHEMBL7834228 0.72 CDK1 (0.46) CDK1CDK2PDPK1HTTLMNA
SCHEMBL2940697 0.72 PDPK1 (0.67) CDK1CDK2PDPK1HTTLMNA
SCHEMBL284830 0.72 PDPK1 (1.00) CDK1CDK2PDPK1HTTLMNA
SCHEMBL9202451 0.71 HTT (1.00) HTTLMNAPAK1PKMHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2129126-A None JP disclosed
US-5574149-A Method of treating HIV infections with 2',3'-dideoxy-3'-fluoro-5-chlorouridine GLAXO WELLCOME INC. (US) 1996-11-12 US disclosed
EP-0670328-A1 Therapeutic nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1995-09-06 EP disclosed
EP-0669341-A1 Therapeutic Nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1995-08-30 EP 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-0317128-A2 Anti-HIV Pyrimidine Nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1989-05-24 EP disclosed
EP-0286425-A2 Therapeutic nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1988-10-12 EP disclosed