SCHEMBL7304113

SCHEMBL7304113

O=c1ccc(-c2c(-c3ccccc3)nn3ccccc23)nn1Cc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.68
PDE4B Q07343 2/20 0.54
PDE3A Q14432 1/20 0.54
IGF1R P08069 1/20 0.51
PTGDR2 Q9Y5Y4 3/20 0.49
POLB P06746 1/20 0.49
MAPK1 P28482 3/20 0.48
PDE4A P27815 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL7291999 0.93 ADORA1 (0.63) ADORA1PDE4BPDE3AIGF1RPTGDR2
SCHEMBL8810012 0.85 ADORA1 (0.73) ADORA1IGF1RMAPK1
SCHEMBL7299166 0.85 ADORA1 (0.77) ADORA1IGF1RMAPK1
SCHEMBL7301059 0.85 ADORA1 (0.67) ADORA1PDE4BPDE3AIGF1RPTGDR2
SCHEMBL7295203 0.85 ADORA1 (0.73) ADORA1PDE4BPDE3AIGF1RMAPK1
SCHEMBL19829271 0.84 ADORA1 (0.66) ADORA1PDE4BPDE3AIGF1RMAPK1
SCHEMBL8639797 0.84 ADORA1 (0.72) ADORA1IGF1RPTGDR2MAPK1
SCHEMBL7301948 0.83 ADORA1 (0.59) ADORA1PDE4BPDE3AIGF1RPTGDR2
SCHEMBL3616432 0.83 ADORA1 (0.59) ADORA1PDE4BPDE3AIGF1RPTGDR2
SCHEMBL8446408 0.83 ADORA1 (0.59) ADORA1PDE4BPDE3AIGF1RPTGDR2

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