SCHEMBL7290695

SCHEMBL7290695

CCOC(=O)CNCCn1nc(-c2c(-c3ccccc3)nn3ccccc23)ccc1=O

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.62
HTT P42858 1/20 0.49
HSD17B10 Q99714 3/20 0.43
CYP1A2 P05177 1/20 0.43
IGF1R P08069 1/20 0.42
MAPK1 P28482 2/20 0.42
EGFR P00533 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.39
TSHR P16473 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
SCHEMBL7291837 0.88 ADORA1 (0.76) ADORA1HTTHSD17B10IGF1RMAPK1
SCHEMBL8808149 0.86 ADORA1 (0.77) ADORA1HTTHSD17B10CYP1A2IGF1R
SCHEMBL8812217 0.86 ADORA1 (0.73) ADORA1HTTHSD17B10CYP1A2IGF1R
SCHEMBL9007316 0.85 ADORA1 (0.72) ADORA1HTTHSD17B10CYP1A2IGF1R
SCHEMBL9585781 0.83 ADORA1 (0.78) ADORA1HTTHSD17B10IGF1RMAPK1
SCHEMBL7290693 0.83 ADORA1 (0.64) ADORA1HTTHSD17B10CYP1A2IGF1R
SCHEMBL8808083 0.82 ADORA1 (0.73) ADORA1HTTHSD17B10CYP1A2IGF1R
SCHEMBL8810012 0.81 ADORA1 (0.73) ADORA1HTTHSD17B10IGF1RMAPK1
SCHEMBL8807444 0.80 ADORA1 (0.67) ADORA1HTTIGF1RMAPK1EGFR
SCHEMBL8809084 0.80 ADORA1 (0.67) ADORA1HTTHSD17B10CYP1A2IGF1R

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