SCHEMBL7657231

SCHEMBL7657231

O=C(O)/C=C1\CCCCC1n1nc(-c2c(-c3ccccc3)nn3ccccc23)ccc1=O

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.49
MAPK1 P28482 5/20 0.41
IGF1R P08069 2/20 0.39
ADORA2A P29274 2/20 0.38
ADORA2B P29275 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
AKT1 P31749 1/20 0.37
MAPK3 P27361 1/20 0.35
MAPK14 Q16539 1/20 0.35
MAPK8 P45983 4/20 0.34
MAPK9 P45984 4/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 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
SCHEMBL7660839 1.00 ADORA1 (0.49) ADORA1MAPK1IGF1RADORA2AADORA2B
SCHEMBL7657235 1.00 ADORA1 (0.49) ADORA1MAPK1IGF1RADORA2AADORA2B
SCHEMBL7660668 0.97 ADORA1 (0.50) ADORA1MAPK1IGF1RADORA2AADORA2B
SCHEMBL7660671 0.97 ADORA1 (0.50) ADORA1MAPK1IGF1RADORA2AADORA2B
SCHEMBL7657689 0.91 ADORA1 (0.46) ADORA1MAPK1IGF1RADORA2AADORA2B
SCHEMBL7657686 0.91 ADORA1 (0.46) ADORA1MAPK1IGF1RADORA2AADORA2B
SCHEMBL7660801 0.89 ADORA1 (0.45) ADORA1MAPK1IGF1RADORA2AADORA2B
SCHEMBL7659038 0.89 ADORA1 (0.45) ADORA1MAPK1IGF1RADORA2AADORA2B
SCHEMBL7659044 0.89 ADORA1 (0.45) ADORA1MAPK1IGF1RADORA2AADORA2B
SCHEMBL7688242 0.89 ADORA1 (0.44) ADORA1MAPK1IGF1RADORA2AADORA2B

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