SCHEMBL7670232

SCHEMBL7670232

O=c1ccc(-c2c(-c3ccccc3)nn3ccccc23)nn1[C@@H]1CCCC[C@H]1O

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.53
IGF1R P08069 2/20 0.44
AKT1 P31749 1/20 0.42
MAPK1 P28482 5/20 0.41
MAPK14 Q16539 2/20 0.39
MAPK3 P27361 1/20 0.39
ADORA2A P29274 3/20 0.38
ADORA2B P29275 3/20 0.38
ADORA3 P0DMS8 2/20 0.38
EGFR P00533 2/20 0.36
RAF1 P04049 1/20 0.36
GSK3B P49841 1/20 0.36
MAPK8 P45983 2/20 0.34
MAPK9 P45984 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
SCHEMBL7665028 1.00 ADORA1 (0.53) ADORA1IGF1RAKT1MAPK1MAPK14
SCHEMBL7665031 1.00 ADORA1 (0.53) ADORA1IGF1RAKT1MAPK1MAPK14
SCHEMBL9033804 0.99 ADORA1 (0.52) ADORA1IGF1RAKT1MAPK1MAPK14
SCHEMBL7664511 0.99 ADORA1 (0.52) ADORA1IGF1RAKT1MAPK1MAPK14
SCHEMBL7660885 0.88 ADORA1 (0.54) ADORA1IGF1RAKT1MAPK1MAPK14
SCHEMBL7661659 0.86 ADORA1 (0.57) ADORA1IGF1RAKT1MAPK1MAPK14
SCHEMBL7661662 0.86 ADORA1 (0.57) ADORA1IGF1RAKT1MAPK1MAPK14
SCHEMBL7664749 0.86 ADORA1 (0.57) ADORA1IGF1RAKT1MAPK1MAPK14
SCHEMBL7668541 0.86 ADORA1 (0.53) ADORA1IGF1RAKT1MAPK1MAPK14
SCHEMBL7659757 0.85 ADORA1 (0.48) ADORA1IGF1RAKT1MAPK1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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