SCHEMBL7668705

SCHEMBL7668705

Nn1cnc2c(CCO)ncnc21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.41
ADORA1 P30542 3/20 0.41
AHCY P23526 10/20 0.37
ADORA2B P29275 2/20 0.33
CYP1A2 P05177 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
PI4KA P42356 1/20 0.33
PI4K2B Q8TCG2 1/20 0.33
PI4K2A Q9BTU6 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
ADCY1 Q08828 1/20 0.33
GSK3B P49841 1/20 0.33

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
SCHEMBL6141625 0.81 ADORA2A (0.36) ADORA2AADORA1AHCYADORA2BCYP1A2
SCHEMBL4455868 0.79 ADORA2A (0.37) ADORA2AADORA1ADORA2BCYP1A2KDM4E
SCHEMBL22399500 0.79 ADORA2A (0.42) ADORA2AADORA1AHCYADORA2BCYP1A2
SCHEMBL15829723 0.76 ADORA2A (0.37) ADORA2AADORA1AHCYADORA2BPI4KA
SCHEMBL3802731 0.75 AHCY (0.49) ADORA2AADORA1AHCYKDM4ELMNA
SCHEMBL2025477 0.75 AHCY (0.49) ADORA2AADORA1AHCYKDM4ELMNA
SCHEMBL4563686 0.75 ADORA2A (0.41) ADORA2AADORA1AHCYADORA2BKDM4E
SCHEMBL2027217 0.74 AHCY (0.47) ADORA2AADORA1AHCYADORA2BPI4KA
SCHEMBL72542 0.72 ADORA2A (0.46) ADORA2AADORA1CYP1A2PI4KAPI4K2B
SCHEMBL18520987 0.72 HTT (0.58) ADORA2AADORA1ADORA2BLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6369237-B1 ENZYME INHIBITORS OF DNA GLYCOLASE PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2002-04-09 US claimed
WO-1998039334-A9 DNA GLYCOSYLASE INHIBITORS, AND USES RELATED THERETO 1999-02-18 WO claimed
WO-1998039334-A1 DNA GLYCOSYLASE INHIBITORS, AND USES RELATED THERETO PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1998-09-11 WO claimed
US-5118800-A Oligonucleotides possessing a primary amino group in the terminal nucleotide CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1992-06-02 US claimed
US-6369237-B1 ENZYME INHIBITORS OF DNA GLYCOLASE PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2002-04-09 US disclosed
WO-1998039334-A9 DNA GLYCOSYLASE INHIBITORS, AND USES RELATED THERETO 1999-02-18 WO disclosed
WO-1998039334-A1 DNA GLYCOSYLASE INHIBITORS, AND USES RELATED THERETO PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1998-09-11 WO disclosed
EP-0270651-B1 NOVEL DEOXYRIBONUCLEOSIDE PHOSPHORAMIDITES AND THEIR USE FOR THE PREPARATION OF OLIGONUCLEOTIDES CALIFORNIA INST OF TECHN (US) 1994-06-15 EP disclosed
US-5118800-A Oligonucleotides possessing a primary amino group in the terminal nucleotide CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1992-06-02 US disclosed
US-5118802-A DNA-reporter conjugates linked via the 2' or 5'-primary amino group of the 5'-terminal nucleoside CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1992-06-02 US disclosed
US-5015733-A Phosphoramidites and oligonucleotides derived therefrom CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1991-05-14 US disclosed
US-4849513-A Deoxyribonucleoside phosphoramidites in which an aliphatic amino group is attached to the sugar ring and their use for the preparation of oligonucleotides containing aliphatic amino groups CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1989-07-18 US disclosed
EP-0270651-A4 NOVEL DEOXYRIBONUCLEOSIDE PHOSPHORAMIDITES AND THEIR USE FOR THE PREPARATION OF OLIGONUCLEOTIDES. CALIFORNIA INST OF TECHN (US) 1989-03-29 EP disclosed
EP-0270651-A1 NOVEL DEOXYRIBONUCLEOSIDE PHOSPHORAMIDITES AND THEIR USE FOR THE PREPARATION OF OLIGONUCLEOTIDES. CALIFORNIA INST OF TECHN (US) 1988-06-15 EP disclosed
WO-1988000201-A1 NOVEL DEOXYRIBONUCLEOSIDE PHOSPHORAMIDITES AND THEIR USE FOR THE PREPARATION OF OLIGONUCLEOTIDES CALIFORNIA INSTITUTE OF TECHNOLOGY, INC. (US) 1988-01-14 WO disclosed