Adenine

Adenine

SCHEMBL3413247

Nc1ncnc2[nH]cnc12.Nc1ncnc2[nH]cnc12.Nc1ncnc2[nH]cnc12.Nc1ncnc2[nH]cnc12

nearest known ligand 0.48

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 7/20 0.48
PI4K2B Q8TCG2 7/20 0.48
PI4K2A Q9BTU6 7/20 0.48
PI4KB Q9UBF8 7/20 0.48
XDH P47989 2/20 0.48
LRRK2 Q5S007 2/20 0.48
LMNA P02545 1/20 0.48
DRD3 P35462 1/20 0.48
ADORA2A P29274 4/20 0.41
ADORA1 P30542 4/20 0.41
RET P07949 1/20 0.39
ERAP1 Q9NZ08 1/20 0.39
GDA Q9Y2T3 2/20 0.34
PNP P00491 1/20 0.34
ADORA2B P29275 2/20 0.33
PDPK1 O15530 1/20 0.33
BTK Q06187 1/20 0.33
PRKCI P41743 1/20 0.33
PARP1 P09874 1/20 0.33
MAP4K4 O95819 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 SCHEMBL3416954 1.00 PI4KA (0.48) PI4KAPI4K2BPI4K2API4KBXDH
Adenine SCHEMBL8110 1.00 PI4KA (0.48) PI4KAPI4K2BPI4K2API4KBXDH
Adenine SCHEMBL3414603 1.00 PI4KA (0.48) PI4KAPI4K2BPI4K2API4KBXDH
Adenine SCHEMBL11798390 0.98 PI4KA (0.50) PI4KAPI4K2BPI4K2API4KBXDH
Adenine SCHEMBL5601016 0.98 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBXDH
Adenine SCHEMBL691914 0.98 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBXDH
Adenine SCHEMBL7204509 0.98 PI4KA (0.50) PI4KAPI4K2BPI4K2API4KBXDH
Adenine SCHEMBL9214447 0.98 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBXDH
Adenine SCHEMBL2895675 0.98 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBXDH
Adenine SCHEMBL10868999 0.98 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBXDH

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-2265626-A2 NUCLEOTIDE ANALOGUES WITH QUATERNARY CARBON STEREOGENIC CENTERS AND METHODS OF USE Institut De Recherches Cliniques De Montreal (CA) 2010-12-29 EP disclosed
WO-2009115927-A2 NUCLEOTIDE ANALOGUES WITH QUATERNARY CARBON STEREOGENIC CENTERS AND METHODS OF USE INSTITUT DE RECHERCHES CLINIQUES DE MONTREAL (CA) 2009-09-24 WO disclosed