Adenine

Adenine

SCHEMBL3413249

Nc1ncnc2nc[nH]c12.Nc1ncnc2nc[nH]c12.Nc1ncnc2nc[nH]c12.Nc1ncnc2nc[nH]c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 2/20 1.00
PI4K2B Q8TCG2 2/20 1.00
PI4K2A Q9BTU6 2/20 1.00
PI4KB Q9UBF8 2/20 1.00
LRRK2 Q5S007 2/20 1.00
LMNA P02545 2/20 1.00
DRD3 P35462 1/20 1.00
XDH P47989 1/20 1.00
PDPK1 O15530 4/20 0.55
GDA Q9Y2T3 1/20 0.55
G6PD P11413 1/20 0.55
TP53 P04637 2/20 0.52
CHEK1 O14757 2/20 0.52
AURKA O14965 1/20 0.52
CHEK2 O96017 1/20 0.52
HSP90AA1 P07900 1/20 0.52
HSP90AB1 P08238 1/20 0.52
PRKACA P17612 1/20 0.52
CCNE1 P24864 1/20 0.52
CDK2 P24941 1/20 0.52

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 SCHEMBL8111 1.00 PI4KA (1.00) PI4KAPI4K2BPI4K2API4KBLRRK2
Adenine SCHEMBL29355156 1.00 PI4KA (1.00) PI4KAPI4K2BPI4K2API4KBLRRK2
Adenine SCHEMBL29442902 1.00 PI4KA (1.00) PI4KAPI4K2BPI4K2API4KBLRRK2
Adenine SCHEMBL29982697 1.00 PI4KA (1.00) PI4KAPI4K2BPI4K2API4KBLRRK2
Adenine SCHEMBL29466915 1.00 PI4KA (1.00) PI4KAPI4K2BPI4K2API4KBLRRK2
Adenine SCHEMBL1331751 1.00 PI4KA (1.00) PI4KAPI4K2BPI4K2API4KBLRRK2
Adenine SCHEMBL3416956 1.00 PI4KA (1.00) PI4KAPI4K2BPI4K2API4KBLRRK2
Adenine SCHEMBL3414606 1.00 PI4KA (1.00) PI4KAPI4K2BPI4K2API4KBLRRK2
Adenine SCHEMBL11156033 0.98 PI4KA (0.96) PI4KAPI4K2BPI4K2API4KBLRRK2
Adenine SCHEMBL1370893 0.98 LMNA (0.96) PI4KAPI4K2BPI4K2API4KBLRRK2

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