SCHEMBL5798902

SCHEMBL5798902

O=c1ccc(-c2c(-c3ccccc3)nn3ccccc23)nn1-c1ccccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.55
IGF1R P08069 2/20 0.47
MAPK14 Q16539 8/20 0.44
MAPK11 Q15759 6/20 0.44
MAPK13 O15264 3/20 0.44
MAPK12 P53778 3/20 0.44
MAPK1 P28482 3/20 0.42
MAPK3 P27361 1/20 0.42
AKT1 P31749 1/20 0.41
EGFR P00533 1/20 0.39
RAF1 P04049 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
GSK3B P49841 1/20 0.39

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
SCHEMBL5798621 0.88 ADORA1 (0.55) ADORA1IGF1RMAPK14MAPK11MAPK13
SCHEMBL5795745 0.86 ADORA1 (0.55) ADORA1IGF1RMAPK14MAPK11MAPK13
SCHEMBL7654930 0.84 ADORA1 (0.60) ADORA1IGF1RMAPK14MAPK1MAPK3
SCHEMBL7658127 0.83 ADORA1 (0.53) ADORA1IGF1RMAPK14MAPK11MAPK1
SCHEMBL8809138 0.79 ADORA1 (0.64) ADORA1IGF1RMAPK14MAPK1MAPK3
SCHEMBL7304113 0.78 ADORA1 (0.68) ADORA1IGF1RMAPK1
SCHEMBL8810012 0.77 ADORA1 (0.73) ADORA1IGF1RMAPK14MAPK1MAPK3
SCHEMBL7664915 0.76 ADORA1 (0.53) ADORA1IGF1RMAPK14MAPK1MAPK3
SCHEMBL7299931 0.76 ADORA1 (0.57) ADORA1IGF1RMAPK14MAPK1MAPK3
SCHEMBL7039587 0.76 ADORA1 (0.57) ADORA1IGF1RMAPK14MAPK1MAPK3

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
WO-2006038734-A1 PYRIDAZINONE DERIVATIVES CYTOKINES INHIBITORS ASTELLAS PHARMA INC. (JP) 2006-04-13 WO disclosed