SCHEMBL7599085

SCHEMBL7599085

COc1nccnc1NC(N)=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GAA P10253 1/20 0.45
CCR4 P51679 2/20 0.41
ALDH1A1 P00352 4/20 0.41
CDC7 O00311 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
NR3C2 P08235 3/20 0.38
ALOX12 P18054 2/20 0.38
IKBKB O14920 3/20 0.37
SIRT6 Q8N6T7 1/20 0.37
GSK3B P49841 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL26789793 0.79 GAA (0.46) MEN1KMT2AGAACCR4ALDH1A1
SCHEMBL943566 0.74 MEN1 (0.47) MEN1KMT2AGAACCR4ALDH1A1
Hydrochloric Acid SCHEMBL19552078 0.72 MEN1 (0.46) MEN1KMT2AGAACCR4ALDH1A1
SCHEMBL2787917 0.72 PEPD (0.39) MEN1KMT2AGAAALDH1A1NR3C2
SCHEMBL2629010 0.71 MEN1 (0.45) MEN1KMT2AGAACCR4ALDH1A1
SCHEMBL2215923 0.71 CDC7 (0.46) MEN1KMT2AGAAALDH1A1CDC7
SCHEMBL30496336 0.71 CDC7 (0.46) MEN1KMT2AGAAALDH1A1CDC7
SCHEMBL7544495 0.71 CDC7 (0.39) MEN1KMT2AGAACDC7CCNE1
Hydrochloric Acid SCHEMBL28897177 0.70 MEN1 (0.44) MEN1KMT2AGAACCR4ALDH1A1
SCHEMBL2629008 0.70 MEN1 (0.44) MEN1KMT2AGAACCR4ALDH1A1

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 1 patent. 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 disclosed