SCHEMBL7654955

SCHEMBL7654955

O=C1CCCCC1n1nc(-c2c(-c3ccccc3)nn3ccccc23)ccc1=O

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.51
IGF1R P08069 2/20 0.44
SRC P12931 1/20 0.42
AKT1 P31749 1/20 0.42
MAPK1 P28482 5/20 0.41
MAPK14 Q16539 2/20 0.39
MAPK3 P27361 1/20 0.39
PDE3A Q14432 2/20 0.36
ADORA2A P29274 3/20 0.36
ADORA2B P29275 3/20 0.36
ADORA3 P0DMS8 2/20 0.36
EGFR P00533 1/20 0.36
RAF1 P04049 1/20 0.36
GSK3B P49841 1/20 0.36
SLC18A3 Q16572 1/20 0.36
PDE4B Q07343 1/20 0.35

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
SCHEMBL7660689 0.99 ADORA1 (0.50) ADORA1IGF1RSRCAKT1MAPK1
SCHEMBL7662071 0.97 ADORA1 (0.52) ADORA1IGF1RSRCAKT1MAPK1
SCHEMBL7661614 0.91 ADORA1 (0.48) ADORA1IGF1RSRCAKT1MAPK1
SCHEMBL7660771 0.88 ADORA1 (0.48) ADORA1IGF1RAKT1MAPK1MAPK14
SCHEMBL7660776 0.88 ADORA1 (0.48) ADORA1IGF1RAKT1MAPK1MAPK14
SCHEMBL7667711 0.88 ADORA1 (0.46) ADORA1IGF1RSRCAKT1MAPK1
SCHEMBL7667720 0.88 ADORA1 (0.46) ADORA1IGF1RSRCAKT1MAPK1
SCHEMBL7655427 0.87 ADORA1 (0.53) ADORA1IGF1RAKT1MAPK1MAPK14
SCHEMBL7660839 0.87 ADORA1 (0.49) ADORA1IGF1RAKT1MAPK1MAPK14
SCHEMBL7657231 0.87 ADORA1 (0.49) 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