SCHEMBL6890986

SCHEMBL6890986

O=C(O)C1CCC(=O)C(n2nc(-c3c(-c4ccccc4)nn4ccccc34)ccc2=O)C1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.51
MAPK1 P28482 5/20 0.42
IGF1R P08069 2/20 0.40
AKT1 P31749 1/20 0.36
MAPK14 Q16539 2/20 0.36
MAPK3 P27361 1/20 0.36
EGFR P00533 2/20 0.35
ADORA2A P29274 3/20 0.33
ADORA2B P29275 3/20 0.33
ADORA3 P0DMS8 2/20 0.33
RAF1 P04049 1/20 0.33
GSK3B P49841 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
PDE4B Q07343 1/20 0.32
PDE3A Q14432 1/20 0.32

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
SCHEMBL7660851 1.00 ADORA1 (0.51) ADORA1MAPK1IGF1RAKT1MAPK14
SCHEMBL7660866 1.00 ADORA1 (0.51) ADORA1MAPK1IGF1RAKT1MAPK14
SCHEMBL7670614 0.88 ADORA1 (0.47) ADORA1MAPK1IGF1REGFR
SCHEMBL7670620 0.88 ADORA1 (0.47) ADORA1MAPK1IGF1REGFR
SCHEMBL7670628 0.88 ADORA1 (0.47) ADORA1MAPK1IGF1REGFR
SCHEMBL6897759 0.87 ADORA1 (0.52) ADORA1MAPK1IGF1RAKT1MAPK14
SCHEMBL7659023 0.87 ADORA1 (0.52) ADORA1MAPK1IGF1RAKT1MAPK14
SCHEMBL7659035 0.87 ADORA1 (0.52) ADORA1MAPK1IGF1RAKT1MAPK14
SCHEMBL7662071 0.85 ADORA1 (0.52) ADORA1MAPK1IGF1RAKT1MAPK14
SCHEMBL9034810 0.85 ADORA1 (0.52) ADORA1MAPK1IGF1RAKT1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3572617-B2 2004-10-06 JP claimed
JP-H09507485-A 1997-07-29 JP claimed
EP-0737193-A1 PYRAZOLOPYRIDINE ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-16 EP claimed
WO-1995018128-A1 PYRAZOLOPYRIDINE ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-07-06 WO claimed
US-6355640-B1 TREATMENT OF HYPERTENSION, UROGENITAL DISORDERS AND FORMED BY WITTIG REACTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-12 US disclosed
EP-0737193-A1 PYRAZOLOPYRIDINE ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-16 EP disclosed
WO-1995018128-A1 PYRAZOLOPYRIDINE ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-07-06 WO disclosed