SCHEMBL7047708

SCHEMBL7047708

Nc1nc2c(nc(Br)n2[C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]1.Nc1ncnc2c1nc(Br)n2[C@H]1C[C@H](O)[C@@H](CO)O1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.54
ADORA2A P29274 3/20 0.54
PNP P00491 1/20 0.46
NADK O95544 1/20 0.45
HSPA5 P11021 1/20 0.43
HSPA8 P11142 1/20 0.43
MAPT P10636 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
POLB P06746 1/20 0.42
TRPM2 O94759 1/20 0.42
DNMT1 P26358 2/20 0.42
ADRB1 P08588 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HIF1A Q16665 1/20 0.41
FPR2 P25090 1/20 0.41
DNMT3B Q9UBC3 1/20 0.41
ADORA2B P29275 2/20 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
SCHEMBL9151047 0.94 PNP (0.56) ADORA3ADORA2APNPNADKHSPA5
SCHEMBL10109648 0.91 PNP (0.54) PNPMAPTBLMPMP22TSHR
SCHEMBL20310514 0.91 PNP (0.54) PNPMAPTBLMPMP22TSHR
SCHEMBL13351290 0.91 PNP (0.54) PNPMAPTBLMPMP22TSHR
SCHEMBL13318964 0.91 PNP (0.54) PNPMAPTBLMPMP22TSHR
SCHEMBL14543297 0.91 PNP (0.54) PNPMAPTBLMPMP22TSHR
SCHEMBL657361 0.91 PNP (0.54) PNPMAPTBLMPMP22TSHR
SCHEMBL657360 0.91 PNP (0.54) PNPMAPTBLMPMP22TSHR
SCHEMBL24420987 0.89 ADORA2A (0.64) ADORA3ADORA2APNPNADKHSPA5
SCHEMBL440599 0.89 ADORA2A (0.64) ADORA3ADORA2APNPNADKHSPA5

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-0974672-B1 Improved primers for AFLP amplification KEYGENE NV (NL) 2003-04-09 EP disclosed
EP-0974672-A1 Improved primers for AFLP amplification KEYGENE N.V. (NL) 2000-01-26 EP disclosed