SCHEMBL7295203

SCHEMBL7295203

NCCn1nc(-c2c(-c3ccccc3)nn3ccccc23)ccc1=O

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.73
IGF1R P08069 2/20 0.50
MAPK1 P28482 6/20 0.49
MAPK14 Q16539 2/20 0.44
MAPK3 P27361 1/20 0.44
AKT1 P31749 1/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
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
KDM4E B2RXH2 2/20 0.39
HTT P42858 1/20 0.39
PDE4B Q07343 1/20 0.38
PDE3A Q14432 1/20 0.38

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
SCHEMBL8810012 0.88 ADORA1 (0.73) ADORA1IGF1RMAPK1MAPK14MAPK3
SCHEMBL7299166 0.88 ADORA1 (0.77) ADORA1IGF1RMAPK1MAPK14MAPK3
SCHEMBL8807841 0.87 ADORA1 (0.77) ADORA1IGF1RMAPK1MAPK14MAPK3
SCHEMBL8807266 0.86 ADORA1 (0.88) ADORA1IGF1RMAPK1AKT1KDM4E
SCHEMBL8808692 0.86 ADORA1 (0.80) ADORA1IGF1RMAPK1MAPK14MAPK3
SCHEMBL7292709 0.85 ADORA1 (0.69) ADORA1IGF1RMAPK1MAPK14MAPK3
SCHEMBL7294123 0.85 ADORA1 (0.79) ADORA1IGF1RMAPK1MAPK14MAPK3
SCHEMBL7304113 0.85 ADORA1 (0.68) ADORA1IGF1RMAPK1MEN1KMT2A
SCHEMBL7290705 0.84 ADORA1 (0.74) ADORA1IGF1RMAPK1MAPK14MAPK3
SCHEMBL7301601 0.84 ADORA1 (0.74) 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