SCHEMBL8809461

SCHEMBL8809461

O=C/C=C/c1c(-c2ccccc2)nn2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.47
ADORA2B P29275 3/20 0.47
ADORA1 P30542 3/20 0.47
ADORA3 P0DMS8 2/20 0.47
EGFR P00533 2/20 0.41
KCNH2 Q12809 2/20 0.40
HDAC1 Q13547 2/20 0.40
AKT1 P31749 1/20 0.40
IGF1R P08069 2/20 0.39
MAPK14 Q16539 2/20 0.38
RAF1 P04049 1/20 0.38
GSK3B P49841 1/20 0.38
MAPK1 P28482 5/20 0.37
TRPA1 O75762 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
ALOX5 P09917 1/20 0.37
MAPK3 P27361 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 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
SCHEMBL8809467 1.00 ADORA2A (0.47) ADORA2AADORA2BADORA1ADORA3EGFR
SCHEMBL8811759 0.84 ADORA2A (0.45) ADORA2AADORA2BADORA1ADORA3EGFR
SCHEMBL9197850 0.83 ADORA2A (0.51) ADORA2AADORA2BADORA1ADORA3EGFR
SCHEMBL9197859 0.83 ADORA2A (0.51) ADORA2AADORA2BADORA1ADORA3EGFR
SCHEMBL9753124 0.83 EGFR (0.38) ADORA2AADORA2BADORA1ADORA3EGFR
SCHEMBL9753122 0.83 EGFR (0.38) ADORA2AADORA2BADORA1ADORA3EGFR
SCHEMBL15489225 0.82 ADORA2A (0.35) ADORA2AADORA2BADORA1ADORA3EGFR
SCHEMBL7294663 0.81 ADORA2A (0.56) ADORA2AADORA2BADORA1ADORA3EGFR
SCHEMBL7294668 0.81 ADORA2A (0.56) ADORA2AADORA2BADORA1ADORA3EGFR
SCHEMBL9314182 0.79 ADORA2A (0.54) ADORA2AADORA2BADORA1ADORA3EGFR

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 4 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
US-4985444-A Pyrazolopyridine compound and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-01-15 US disclosed
EP-0379979-A1 Pyrazolopyridine compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-08-01 EP disclosed