SCHEMBL4201092

SCHEMBL4201092

Nc1ncnc2nc(Br)[nH]c12.OC[C@H]1OC[C@H](O)[C@@H]1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.57
ADORA2A P29274 1/20 0.57
TSHR P16473 1/20 0.38
PI4KA P42356 4/20 0.38
PI4K2B Q8TCG2 4/20 0.38
PI4K2A Q9BTU6 4/20 0.38
PI4KB Q9UBF8 4/20 0.38
HIF1A Q16665 1/20 0.36
NUDT1 P36639 2/20 0.36
PKM P14618 1/20 0.35
APEX1 P27695 1/20 0.35
ADK P55263 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
HTT P42858 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
Adenine SCHEMBL593934 0.80 PI4KA (0.54) TSHRPI4KAPI4K2BPI4K2API4KB
SCHEMBL4201094 0.77 PNP (0.42)
SCHEMBL8566 0.75 ADORA2A (1.00) ADORA1ADORA2ATSHRPI4KAPI4K2B
SCHEMBL29529372 0.75 ADORA2A (1.00) ADORA1ADORA2ATSHRPI4KAPI4K2B
SCHEMBL15602792 0.73 PDPK1 (0.40) ADORA1ADORA2ACDK1CCNB1CCNA2
2,6-Diaminopurine SCHEMBL443468 0.72 PDPK1 (0.55) ADORA1ADORA2ACDK1CCNB1CCNA2
SCHEMBL9443837 0.72 NADK (0.63) HSD17B10CDK1CCNB1CCNA2CDK2
Guanine SCHEMBL4198112 0.70 PNP (0.58) ALDH1A1HSD17B10
SCHEMBL11315629 0.69 HIF1A (0.48) ADORA1ADORA2ATSHRPI4KAPI4K2B
SCHEMBL4199979 0.69 PNP (0.32) ALDH1A1HTTLMNA

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
US-7608402-B2 DNA methylation specific signal amplification LI WEIWEI 2009-10-27 US disclosed
US-20090181373-A1 DNA methylation specific signal amplification LI WEIWEI 2009-07-16 US disclosed