SCHEMBL8809176

SCHEMBL8809176

O=C(O)CCn1cc(-c2c(-c3ccccc3)nn3ccccc23)cc(C(=O)O)c1=O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.52
MAPK1 P28482 5/20 0.45
IGF1R P08069 2/20 0.41
AKT1 P31749 1/20 0.39
EGFR P00533 2/20 0.38
ESR1 P03372 1/20 0.38
MAPK14 Q16539 2/20 0.38
RAF1 P04049 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
GSK3B P49841 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CREBBP Q92793 1/20 0.37
PTGIR P43119 1/20 0.36
MAPK3 P27361 1/20 0.36

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
SCHEMBL8810075 0.89 ADORA1 (0.44) ADORA1MAPK1IGF1RAKT1EGFR
SCHEMBL8807906 0.85 ADORA1 (0.50) ADORA1MAPK1IGF1RAKT1EGFR
SCHEMBL8808264 0.81 ADORA1 (0.59) ADORA1MAPK1IGF1RAKT1EGFR
SCHEMBL8808388 0.76 ADORA1 (0.42) ADORA1MAPK1IGF1REGFRKDM4E
SCHEMBL8810029 0.74 LMNA (0.47) ADORA1MAPK1IGF1RAKT1EGFR
SCHEMBL8807356 0.74 IGF1R (0.50) ADORA1MAPK1IGF1RAKT1EGFR
SCHEMBL8808815 0.73 ADORA1 (0.46) ADORA1MAPK1IGF1RAKT1EGFR
SCHEMBL8807259 0.73 ADORA1 (0.57) ADORA1MAPK1IGF1RAKT1EGFR
SCHEMBL8808089 0.72 ADORA1 (0.64) ADORA1MAPK1IGF1RAKT1EGFR
SCHEMBL8807266 0.72 ADORA1 (0.88) ADORA1MAPK1IGF1RAKT1KDM4E

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
EP-0379979-B1 Pyrazolopyridine compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO (JP) 1997-03-19 EP disclosed
US-5155114-A Treating or preventing renal toxicity, nephrosis, nephritis FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1992-10-13 US disclosed
EP-0379979-A1 Pyrazolopyridine compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-08-01 EP disclosed