SCHEMBL6897759

SCHEMBL6897759

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

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.52
MAPK1 P28482 5/20 0.43
IGF1R P08069 2/20 0.41
AKT1 P31749 1/20 0.37
MAPK14 Q16539 2/20 0.37
MAPK3 P27361 1/20 0.37
EGFR P00533 2/20 0.34
ADORA2A P29274 3/20 0.34
ADORA2B P29275 3/20 0.34
ADORA3 P0DMS8 2/20 0.34
RAF1 P04049 1/20 0.34
GSK3B P49841 1/20 0.34
MAPK8 P45983 2/20 0.33
MAPK9 P45984 2/20 0.33
PIKFYVE Q9Y2I7 1/20 0.33

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
SCHEMBL7659035 1.00 ADORA1 (0.52) ADORA1MAPK1IGF1RAKT1MAPK14
SCHEMBL7659023 1.00 ADORA1 (0.52) ADORA1MAPK1IGF1RAKT1MAPK14
SCHEMBL7660818 0.90 ADORA1 (0.49) ADORA1MAPK1IGF1RAKT1MAPK14
SCHEMBL7660830 0.90 ADORA1 (0.49) ADORA1MAPK1IGF1RAKT1MAPK14
SCHEMBL7660825 0.90 ADORA1 (0.49) ADORA1MAPK1IGF1RAKT1MAPK14
SCHEMBL9034835 0.87 ADORA1 (0.55) ADORA1MAPK1IGF1RAKT1MAPK14
SCHEMBL7666542 0.87 ADORA1 (0.55) ADORA1MAPK1IGF1RAKT1MAPK14
SCHEMBL7666546 0.87 ADORA1 (0.55) ADORA1MAPK1IGF1RAKT1MAPK14
SCHEMBL6890986 0.87 ADORA1 (0.51) ADORA1MAPK1IGF1RAKT1MAPK14
SCHEMBL7660866 0.87 ADORA1 (0.51) 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 10 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
EP-0823254-B1 NOVEL USE OF PYRAZOLOPYRIDINE COMPOUNDS FUJISAWA PHARMACEUTICAL CO (JP) 2002-07-17 EP disclosed
US-6355640-B1 TREATMENT OF HYPERTENSION, UROGENITAL DISORDERS AND FORMED BY WITTIG REACTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-12 US disclosed
US-6232324-B1 AS HYPERTENSIVE AGENTS FOR DIALYSIS INDUCED HYPOTENSION; ADMINISTERING COMPOUNDS SUCH AS 1-(3-(2-PHENYLPYRAZOLO(1,5-A) PYRIDIN-3-YL)ACRYLOYL)-2-(CARBOXY METHYL)PIPERIDINE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-15 US disclosed
EP-0823254-A1 NOVEL USE OF PYRAZOLOPYRIDINE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-02-11 EP 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