SCHEMBL9780849

SCHEMBL9780849

CCc1cn([C@H]2CC(O)[C@@H](CO)O2)c(=O)nc1N

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 8/20 0.63
ADRB1 P08588 1/20 0.62
DNMT3B Q9UBC3 3/20 0.60
TK2 O00142 1/20 0.55
TK1 P04183 1/20 0.55
FPR2 P25090 2/20 0.54
PNP P00491 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
HTT P42858 1/20 0.48
PDE4D Q08499 1/20 0.48
PDE3A Q14432 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48

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
SCHEMBL5982022 1.00 DNMT1 (0.63) DNMT1ADRB1DNMT3BTK2TK1
SCHEMBL5982018 1.00 DNMT1 (0.63) DNMT1ADRB1DNMT3BTK2TK1
SCHEMBL2284783 1.00 DNMT1 (0.63) DNMT1ADRB1DNMT3BTK2TK1
SCHEMBL231960 0.92 DNMT1 (0.64) DNMT1ADRB1DNMT3BTK2TK1
SCHEMBL29431942 0.92 DNMT1 (0.64) DNMT1ADRB1DNMT3BTK2TK1
SCHEMBL22299584 0.92 DNMT1 (0.64) DNMT1ADRB1DNMT3BTK2TK1
SCHEMBL25837386 0.92 DNMT1 (0.64) DNMT1ADRB1DNMT3BTK2TK1
SCHEMBL231959 0.92 DNMT1 (0.64) DNMT1ADRB1DNMT3BTK2TK1
SCHEMBL1665903 0.91 DNMT1 (0.63) DNMT1ADRB1DNMT3BTK2TK1
SCHEMBL1665907 0.91 DNMT1 (0.63) DNMT1ADRB1DNMT3BTK2TK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5010060-A Method of treating herpes simplex viral infection employing pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 1991-04-23 US disclosed
US-4851519-A AMIDO NUCLEOSIDES, VIRICIDES HOFFMANN-LA ROCHE INC. (US) 1989-07-25 US disclosed
EP-0258412-A1 COMPOSITION FOR AND METHOD OF TREATING AIDS AND CERTAIN RELATED DISEASES GREER, Sheldon B. (US) 1988-03-09 EP disclosed
WO-1987004929-A1 COMPOSITION FOR AND METHOD OF TREATING AIDS AND CERTAIN RELATED DISEASES GREER SHELDON B 1987-08-27 WO disclosed
US-4210638-A 5-TRIFLUOROMETHYL-2'-DEOXYCYCTIDINE AND TETRAHYDROURIDINE OR 2'-DEOXYTETRAHYDROURIDINE PCR, INC. (US) 1980-07-01 US disclosed