SCHEMBL7496245

SCHEMBL7496245

CC(C)N1CCC(n2nc(-c3c(-c4ccccc4)nn4ccccc34)ccc2=O)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.48
IGF1R P08069 2/20 0.42
MAPK1 P28482 5/20 0.41
MAPK14 Q16539 2/20 0.39
MAPK3 P27361 1/20 0.39
AKT1 P31749 1/20 0.38
PDE5A O76074 3/20 0.37
PDE3A Q14432 3/20 0.37
NSD3 Q9BZ95 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
EGFR P00533 1/20 0.34
RAF1 P04049 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
GSK3B P49841 1/20 0.34
PDE4B Q07343 2/20 0.34

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
SCHEMBL7487498 0.89 ADORA1 (0.53) ADORA1IGF1RMAPK1MAPK14MAPK3
Hydrochloric Acid SCHEMBL7541956 0.88 ADORA1 (0.52) ADORA1IGF1RMAPK1MAPK14MAPK3
SCHEMBL7488376 0.86 ADORA1 (0.51) ADORA1IGF1RMAPK1MAPK14MAPK3
SCHEMBL7668541 0.86 ADORA1 (0.53) ADORA1IGF1RMAPK1MAPK14MAPK3
SCHEMBL7487132 0.85 ADORA1 (0.52) ADORA1IGF1RMAPK1AKT1
SCHEMBL7663464 0.85 ADORA1 (0.53) ADORA1IGF1RMAPK1MAPK14MAPK3
SCHEMBL7485481 0.85 ADORA1 (0.52) ADORA1IGF1RMAPK1MAPK14MAPK3
SCHEMBL7486447 0.84 NSD3 (0.52) ADORA1IGF1RMAPK1MAPK14MAPK3
SCHEMBL7495433 0.83 ADORA1 (0.50) ADORA1IGF1RMAPK1AKT1PDE3A
SCHEMBL7488103 0.83 ADORA1 (0.52) ADORA1IGF1RMAPK1AKT1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0925299-B1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO (JP) 2002-09-25 EP disclosed
US-6124456-A Pyrazolopyridine compound and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-09-26 US disclosed