SCHEMBL7658127

SCHEMBL7658127

COc1ccccc1-n1nc(-c2c(-c3ccccc3)nn3ccccc23)ccc1=O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.53
IGF1R P08069 2/20 0.45
MAPK1 P28482 3/20 0.42
ADORA3 P0DMS8 3/20 0.41
ADORA2A P29274 2/20 0.41
MAPK14 Q16539 3/20 0.40
MAPK3 P27361 1/20 0.40
EGFR P00533 2/20 0.40
GSK3B P49841 2/20 0.40
RAF1 P04049 1/20 0.40
ADORA2B P29275 1/20 0.40
AKT1 P31749 1/20 0.39
FABP3 P05413 1/20 0.38
MAPK11 Q15759 1/20 0.38
FGFR1 P11362 1/20 0.38

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
SCHEMBL5795745 0.85 ADORA1 (0.55) ADORA1IGF1RMAPK1ADORA3ADORA2A
SCHEMBL5798902 0.83 ADORA1 (0.55) ADORA1IGF1RMAPK1ADORA3ADORA2A
SCHEMBL7664915 0.83 ADORA1 (0.53) ADORA1IGF1RMAPK1ADORA3ADORA2A
SCHEMBL7654930 0.81 ADORA1 (0.60) ADORA1IGF1RMAPK1ADORA3ADORA2A
SCHEMBL7292742 0.81 ADORA1 (0.56) ADORA1
SCHEMBL8809138 0.79 ADORA1 (0.64) ADORA1IGF1RMAPK1ADORA3ADORA2A
SCHEMBL5798621 0.76 ADORA1 (0.55) ADORA1IGF1RMAPK1ADORA3ADORA2A
SCHEMBL7039587 0.76 ADORA1 (0.57) ADORA1IGF1RMAPK1ADORA3ADORA2A
SCHEMBL8193833 0.76 ADORA1 (0.52) ADORA1IGF1RMAPK1ADORA3ADORA2A
SCHEMBL8200370 0.76 ADORA1 (0.44) ADORA1IGF1RMAPK1ADORA2AMAPK14

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