SCHEMBL8808558

SCHEMBL8808558

c1ccc(-c2nn3ccccc3c2-c2cncnc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.56
ADORA1 P30542 2/20 0.56
EGFR P00533 2/20 0.56
RAF1 P04049 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
ADORA2A P29274 1/20 0.56
ADORA2B P29275 1/20 0.56
GSK3B P49841 1/20 0.56
AKT1 P31749 1/20 0.53
IGF1R P08069 2/20 0.46
MAPK1 P28482 5/20 0.45
MAPK3 P27361 1/20 0.45
ATM Q13315 1/20 0.44
PDE4B Q07343 1/20 0.36
PDE3A Q14432 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
SCHEMBL14502354 0.87 AKT1 (0.65) MAPK14ADORA1EGFRRAF1ADORA3
SCHEMBL8810466 0.83 MAPK14 (0.78) MAPK14ADORA1EGFRRAF1ADORA3
SCHEMBL8807637 0.82 AKT1 (0.51) MAPK14ADORA1EGFRRAF1ADORA3
SCHEMBL8809320 0.82 AKT1 (0.54) MAPK14ADORA1EGFRRAF1ADORA3
SCHEMBL8811450 0.79 MAPK14 (0.57) MAPK14ADORA1EGFRRAF1ADORA3
SCHEMBL14810260 0.79 MAPK14 (0.60) MAPK14ADORA1EGFRRAF1ADORA3
SCHEMBL14502340 0.78 AKT1 (0.60) MAPK14ADORA1EGFRRAF1ADORA3
SCHEMBL8812720 0.78 AKT1 (0.50) MAPK14ADORA1EGFRRAF1ADORA3
SCHEMBL8807304 0.78 MAPK14 (0.56) MAPK14ADORA1EGFRRAF1ADORA3
SCHEMBL8811319 0.77 AKT1 (0.52) MAPK14ADORA1EGFRRAF1ADORA3

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

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