SCHEMBL9034835

SCHEMBL9034835

O=c1ccc(-c2c(-c3ccccc3)nn3ccccc23)nn1[C@H]1CC[C@H](C(=O)O)CC1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.55
MAPK1 P28482 5/20 0.45
IGF1R P08069 2/20 0.43
AKT1 P31749 1/20 0.39
MAPK14 Q16539 2/20 0.38
MAPK3 P27361 1/20 0.38
NSD3 Q9BZ95 1/20 0.36
EGFR P00533 2/20 0.36
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
ADORA2A P29274 3/20 0.35
ADORA2B P29275 3/20 0.35
ADORA3 P0DMS8 2/20 0.35
RAF1 P04049 1/20 0.35
GSK3B P49841 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
SCHEMBL7666546 1.00 ADORA1 (0.55) ADORA1MAPK1IGF1RAKT1MAPK14
SCHEMBL7666542 1.00 ADORA1 (0.55) ADORA1MAPK1IGF1RAKT1MAPK14
SCHEMBL9034810 0.89 ADORA1 (0.52) ADORA1MAPK1IGF1RAKT1MAPK14
SCHEMBL7666482 0.89 ADORA1 (0.52) ADORA1MAPK1IGF1RAKT1MAPK14
SCHEMBL7666486 0.89 ADORA1 (0.52) ADORA1MAPK1IGF1RAKT1MAPK14
SCHEMBL7668541 0.87 ADORA1 (0.53) ADORA1MAPK1IGF1RAKT1MAPK14
SCHEMBL7659035 0.87 ADORA1 (0.52) ADORA1MAPK1IGF1RAKT1MAPK14
SCHEMBL7659023 0.87 ADORA1 (0.52) ADORA1MAPK1IGF1RAKT1MAPK14
SCHEMBL6897759 0.87 ADORA1 (0.52) ADORA1MAPK1IGF1RAKT1MAPK14
SCHEMBL7663464 0.86 ADORA1 (0.53) ADORA1MAPK1IGF1RAKT1MAPK14

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