SCHEMBL7302677

SCHEMBL7302677

N#CCCCn1nc(-c2c(-c3ccccc3)nn3ccccc23)ccc1=O

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.73
IGF1R P08069 2/20 0.46
MAPK1 P28482 6/20 0.43
MAPK14 Q16539 2/20 0.39
MAPK3 P27361 1/20 0.39
KDM4E B2RXH2 2/20 0.38
AKT1 P31749 1/20 0.38
EGFR P00533 2/20 0.36
RAF1 P04049 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
GSK3B P49841 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL7302613 0.97 ADORA1 (0.71) ADORA1IGF1RMAPK1MAPK14MAPK3
SCHEMBL7291757 0.96 ADORA1 (0.70) ADORA1IGF1RMAPK1MAPK14MAPK3
SCHEMBL7302311 0.96 ADORA1 (0.70) ADORA1IGF1RMAPK1MAPK14MAPK3
SCHEMBL7302512 0.96 ADORA1 (0.70) ADORA1IGF1RMAPK1MAPK14MAPK3
SCHEMBL7291645 0.96 ADORA1 (0.70) ADORA1IGF1RMAPK1MAPK14MAPK3
SCHEMBL7295961 0.96 ADORA1 (0.70) ADORA1IGF1RMAPK1MAPK14MAPK3
SCHEMBL7291590 0.96 ADORA1 (0.70) ADORA1IGF1RMAPK1MAPK14MAPK3
SCHEMBL7291095 0.96 ADORA1 (0.70) ADORA1IGF1RMAPK1MAPK14MAPK3
SCHEMBL7292709 0.94 ADORA1 (0.69) ADORA1IGF1RMAPK1MAPK14MAPK3
SCHEMBL7301059 0.88 ADORA1 (0.67) ADORA1IGF1RMAPK1MAPK14MAPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0497258-B1 Use of adenosine antagonists in the prevention and treatment of pancreatitis and ulcer FUJISAWA PHARMACEUTICAL CO (JP) 2002-01-02 EP disclosed
EP-0467248-B1 Pyrazolopyridine compound and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO (JP) 1998-10-28 EP disclosed
US-5338743-A Pancreatitis FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-08-16 US disclosed
US-5204346-A Cognition activators; analgesics; antidepressants; vasodilation; cardiovascular and urogential disorders; FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-04-20 US disclosed
EP-0497258-A2 Use of adenosine antagonists in the prevention and treatment of pancreatitis and ulcer FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-08-05 EP disclosed
EP-0467248-A2 Pyrazolopyridine compound and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-01-22 EP disclosed