SCHEMBL9034810

SCHEMBL9034810

O=C(O)[C@@H]1CCC[C@@H](n2nc(-c3c(-c4ccccc4)nn4ccccc34)ccc2=O)C1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.52
MAPK1 P28482 5/20 0.43
IGF1R P08069 2/20 0.41
AKT1 P31749 1/20 0.39
MAPK3 P27361 1/20 0.37
MAPK14 Q16539 1/20 0.37
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
ADORA2A P29274 2/20 0.36
ADORA2B P29275 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
OGFRL1 Q5TC84 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
SCHEMBL7666486 1.00 ADORA1 (0.52) ADORA1MAPK1IGF1RAKT1MAPK3
SCHEMBL7666482 1.00 ADORA1 (0.52) ADORA1MAPK1IGF1RAKT1MAPK3
SCHEMBL9035178 0.90 ADORA1 (0.49) ADORA1MAPK1IGF1RAKT1MAPK3
SCHEMBL9035159 0.90 ADORA1 (0.49) ADORA1MAPK1IGF1RAKT1MAPK3
SCHEMBL9035165 0.90 ADORA1 (0.49) ADORA1MAPK1IGF1RAKT1MAPK3
SCHEMBL7666542 0.89 ADORA1 (0.55) ADORA1MAPK1IGF1RAKT1MAPK3
SCHEMBL9034835 0.89 ADORA1 (0.55) ADORA1MAPK1IGF1RAKT1MAPK3
SCHEMBL7666546 0.89 ADORA1 (0.55) ADORA1MAPK1IGF1RAKT1MAPK3
SCHEMBL7657769 0.88 ADORA1 (0.52) ADORA1MAPK1IGF1RAKT1MAPK3
SCHEMBL7668541 0.87 ADORA1 (0.53) ADORA1MAPK1IGF1RAKT1MAPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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