SCHEMBL7299166

SCHEMBL7299166

O=c1ccc(-c2c(-c3ccccc3)nn3ccccc23)nn1CCO

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.77
MAPK1 P28482 5/20 0.58
IGF1R P08069 2/20 0.50
MAPK14 Q16539 2/20 0.42
MAPK3 P27361 1/20 0.42
KDM4E B2RXH2 2/20 0.41
HTT P42858 1/20 0.41
AKT1 P31749 1/20 0.41
EGFR P00533 2/20 0.39
TSHR P16473 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
SCHEMBL8808692 0.93 ADORA1 (0.80) ADORA1MAPK1IGF1RMAPK14MAPK3
SCHEMBL7294123 0.92 ADORA1 (0.79) ADORA1MAPK1IGF1RMAPK14MAPK3
Hydrochloric Acid SCHEMBL7302100 0.90 ADORA1 (0.66) ADORA1MAPK1IGF1RMAPK14MAPK3
SCHEMBL8807266 0.89 ADORA1 (0.88) ADORA1MAPK1IGF1RKDM4EHTT
SCHEMBL8810012 0.88 ADORA1 (0.73) ADORA1MAPK1IGF1RMAPK14MAPK3
SCHEMBL7295203 0.88 ADORA1 (0.73) ADORA1MAPK1IGF1RMAPK14MAPK3
SCHEMBL2641189 0.87 ADORA1 (1.00) ADORA1MAPK1IGF1RKDM4EHTT
SCHEMBL8807841 0.87 ADORA1 (0.77) ADORA1MAPK1IGF1RMAPK14MAPK3
SCHEMBL8807647 0.86 ADORA1 (0.94) ADORA1MAPK1IGF1RKDM4EHTT
SCHEMBL19829272 0.86 ADORA1 (0.86) ADORA1MAPK1IGF1RKDM4EHTT

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 10 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
EP-0379979-B1 Pyrazolopyridine compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO (JP) 1997-03-19 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
US-5155114-A Treating or preventing renal toxicity, nephrosis, nephritis FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1992-10-13 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
US-4985444-A Pyrazolopyridine compound and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-01-15 US disclosed
EP-0379979-A1 Pyrazolopyridine compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-08-01 EP disclosed