SCHEMBL8446408

SCHEMBL8446408

O=c1ccc(-c2c(-c3ccccc3)nn3ccccc23)nn1Cc1ncc[nH]1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.59
IGF1R P08069 2/20 0.47
MAPK1 P28482 5/20 0.42
MAPK14 Q16539 2/20 0.40
MAPK3 P27361 1/20 0.40
PDE4B Q07343 1/20 0.38
PDE3A Q14432 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
EGFR P00533 1/20 0.37
RAF1 P04049 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
GSK3B P49841 1/20 0.37
AKT1 P31749 1/20 0.36
POLB P06746 1/20 0.36
TP53 P04637 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
SCHEMBL7304113 0.83 ADORA1 (0.68) ADORA1IGF1RMAPK1PDE4BPDE3A
SCHEMBL7301948 0.82 ADORA1 (0.59) ADORA1IGF1RMAPK1MAPK14MAPK3
SCHEMBL7291999 0.81 ADORA1 (0.63) ADORA1IGF1RMAPK1MAPK14PDE4B
SCHEMBL3616432 0.80 ADORA1 (0.59) ADORA1IGF1RMAPK1MAPK14MAPK3
SCHEMBL7301059 0.80 ADORA1 (0.67) ADORA1IGF1RMAPK1MAPK14MAPK3
SCHEMBL7295203 0.78 ADORA1 (0.73) ADORA1IGF1RMAPK1MAPK14MAPK3
SCHEMBL7299166 0.78 ADORA1 (0.77) ADORA1IGF1RMAPK1MAPK14MAPK3
SCHEMBL8810012 0.78 ADORA1 (0.73) ADORA1IGF1RMAPK1MAPK14MAPK3
SCHEMBL19829271 0.77 ADORA1 (0.66) ADORA1IGF1RMAPK1MAPK14MAPK3
SCHEMBL8639797 0.77 ADORA1 (0.72) ADORA1IGF1RMAPK1PTGDR2EGFR

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
JP-11080157-A None JP disclosed
JP-H1180157-A PYRAZOLOPYRIDINE ADENOSINE ANTAGONIST FUJISAWA PHARMACEUT CO LTD 1999-03-26 JP disclosed