SCHEMBL7544018

SCHEMBL7544018

COc1nc(C)cnc1OC(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
NNMT P40261 4/20 0.38
SIRT6 Q8N6T7 1/20 0.35
HPGDS O60760 1/20 0.35
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
CCR4 P51679 2/20 0.34
EDNRA P25101 2/20 0.33
GSK3B P49841 1/20 0.33
PIK3CA P42336 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
CDC7 O00311 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
DBF4 Q9UBU7 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
PARP1 P09874 1/20 0.32

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
SCHEMBL7543546 0.83 ALOX15 (0.35) ALDH1A1PARP10
SCHEMBL7540966 0.83 CCR4 (0.36) POLBHPGDSCCR4EDNRAALDH1A1
SCHEMBL15233567 0.79 CCR4 (0.38) CCR4EDNRAPIK3CAALDH1A1
SCHEMBL7542068 0.79 ALOX5 (0.39) POLBALDH1A1CDC7DBF4
SCHEMBL29212506 0.78 NNMT (0.37) POLBNNMTSIRT6HPGDSMKNK1
SCHEMBL3170311 0.77 POLB (0.42) POLBNNMTSIRT6HPGDSMKNK1
SCHEMBL7544495 0.76 CDC7 (0.39) POLBNNMTSIRT6MKNK1MKNK2
SCHEMBL7542109 0.75 MAPT (0.44) ALDH1A1PARP1
SCHEMBL29243306 0.75 CCR4 (0.39) POLBNNMTSIRT6CCR4EDNRA
SCHEMBL7542243 0.71 POLB (0.40) POLBSIRT6CCR4EDNRAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0889038-B1 Process for the preparation of alkoxy-or aryloxypyrazine derivatives LONZA AG (CH) 2002-05-29 EP claimed
EP-0889038-A1 Process for the preparation of alkoxy-or aryloxypyrazine derivatives LONZA AG (CH) 1999-01-07 EP claimed
EP-0889038-B1 Process for the preparation of alkoxy-or aryloxypyrazine derivatives LONZA AG (CH) 2002-05-29 EP disclosed
EP-0889038-A1 Process for the preparation of alkoxy-or aryloxypyrazine derivatives LONZA AG (CH) 1999-01-07 EP disclosed