Adenine

Adenine

SCHEMBL9621204

NC(N)=O.Nc1ncnc2[nH]cnc12

nearest known ligand 0.46

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GDA Q9Y2T3 1/20 0.46
PI4K2A Q9BTU6 5/20 0.41
PI4KB Q9UBF8 5/20 0.41
PI4KA P42356 4/20 0.41
PI4K2B Q8TCG2 4/20 0.41
XDH P47989 2/20 0.41
LRRK2 Q5S007 2/20 0.41
LMNA P02545 1/20 0.41
DRD3 P35462 1/20 0.41
PARP1 P09874 2/20 0.39
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
GSK3B P49841 1/20 0.35
MKNK1 Q9BUB5 1/20 0.34
MAP4K4 O95819 3/20 0.33
ADCY5 O95622 2/20 0.33
PNP P00491 1/20 0.33
RET P07949 1/20 0.33
ERAP1 Q9NZ08 1/20 0.33
ALDH1A1 P00352 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 SCHEMBL18321272 0.93 GDA (0.43) GDAPI4K2API4KBPI4KAPI4K2B
Adenine SCHEMBL385841 0.90 PI4KA (0.45) GDAPI4K2API4KBPI4KAPI4K2B
Adenine SCHEMBL3414603 0.90 PI4KA (0.48) GDAPI4K2API4KBPI4KAPI4K2B
Adenine SCHEMBL8110 0.90 PI4KA (0.48) GDAPI4K2API4KBPI4KAPI4K2B
Adenine SCHEMBL3416954 0.90 PI4KA (0.48) GDAPI4K2API4KBPI4KAPI4K2B
Adenine SCHEMBL3413247 0.90 PI4KA (0.48) GDAPI4K2API4KBPI4KAPI4K2B
Adenine SCHEMBL28763031 0.89 PI4KA (0.39) GDAPI4K2API4KBPI4KAPI4K2B
Adenine SCHEMBL14125907 0.89 PI4KA (0.39) GDAPI4K2API4KBPI4KAPI4K2B
Adenine SCHEMBL1871837 0.88 PI4KA (0.44) GDAPI4K2API4KBPI4KAPI4K2B
Adenine SCHEMBL10868999 0.88 PI4KA (0.47) GDAPI4K2API4KBPI4KAPI4K2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0186454-B1 6-PURINYL N-(2-CHLOROETHYL) CARBAMATE AND THIOCARBAMATE, A PROCESS FOR THEIR PREPARATION AND USE THEREOF SPOFA Spojené Podniky Pro Zdravotnickou Vyrobu (CS) 1992-04-08 EP disclosed
US-4720497-A 6-purinyl N-/2-chloroethyl/carbamate and thiocarbamate and process for the preparation thereof SPOFA, SPOJENE PODNIKY PRO ZDRAVOTNICKOU VYROBU (CS) 1988-01-19 US disclosed
EP-0186454-A2 6-Purinyl N-(2-chloroethyl) carbamate and thiocarbamate, a process for their preparation and use thereof SPOFA Spojené Podniky Pro Zdravotnickou Vyrobu (CS) 1986-07-02 EP disclosed