SCHEMBL8199824

SCHEMBL8199824

O=c1ccc(-c2c(-c3ccccc3O)nn3ccccc23)n[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 2/20 0.60
PDE5A O76074 1/20 0.60
PDE4B Q07343 1/20 0.44
ADORA1 P30542 1/20 0.39
IGF1R P08069 2/20 0.39
CYP1A2 P05177 1/20 0.38
MAPK1 P28482 3/20 0.38
MAPK3 P27361 1/20 0.38
MAPK14 Q16539 1/20 0.38
HPGD P15428 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 2/20 0.37
RAB9A P51151 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 4/20 0.36
HSD17B10 Q99714 2/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 2/20 0.35
NFKB1 P19838 2/20 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
SCHEMBL8186528 0.83 PDE3A (0.60) PDE3APDE5APDE4BADORA1IGF1R
SCHEMBL5810385 0.83 PDE3A (0.65) PDE3APDE5APDE4BADORA1IGF1R
SCHEMBL8195253 0.81 PDE3A (0.57) PDE3APDE5APDE4BADORA1IGF1R
SCHEMBL8197666 0.79 ADORA1 (0.48) PDE3APDE5AADORA1IGF1RMAPK1
SCHEMBL10944420 0.77 CYP1A2 (0.56) PDE3APDE5ACYP1A2MAPK1HPGD
SCHEMBL7113806 0.77 PDE3A (0.64) PDE3APDE5APDE4BADORA1IGF1R
SCHEMBL8199836 0.76 PDE3A (0.60) PDE3APDE5APDE4BADORA1IGF1R
SCHEMBL8185746 0.76 PDE3A (0.57) PDE3APDE5APDE4BADORA1IGF1R
SCHEMBL7039594 0.76 PDE3A (0.66) PDE3APDE5APDE4BADORA1IGF1R
SCHEMBL7032871 0.75 PDE3A (0.65) PDE3APDE5APDE4BADORA1IGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000024742-A1 PYRAZOLOPYRIDINE AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-05-04 WO disclosed