SCHEMBL9634827

SCHEMBL9634827

N#CCOc1ccc(-c2nc3cnccc3[nH]2)c(OCCO)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 8/20 0.41
GCGR P47871 2/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
PDE10A Q9Y233 2/20 0.36
CHEK2 O96017 1/20 0.35
P2RY12 Q9H244 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CYP11B1 P15538 3/20 0.33
CYP11B2 P19099 3/20 0.33
PDE2A O00408 1/20 0.33
CYP19A1 P11511 1/20 0.33

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
SCHEMBL9635840 0.96 PDE5A (0.39) PDE5AGCGRMAPK13MAPK12MAPK11
SCHEMBL9634527 0.92 PDE5A (0.39) PDE5AGCGRMAPK13MAPK12MAPK11
SCHEMBL9636138 0.91 PDE5A (0.46) PDE5AGCGRMAPK13MAPK12MAPK11
SCHEMBL9634114 0.90 PDE5A (0.41) PDE5AGCGRMAPK13MAPK12MAPK11
SCHEMBL9636211 0.88 PDE5A (0.40) PDE5AGCGRMAPK13MAPK12MAPK11
SCHEMBL9635731 0.87 TOP1 (0.37) PDE5AGCGRMAPK13MAPK12MAPK11
SCHEMBL9634126 0.87 TOP1 (0.37) PDE5AGCGRMAPK13MAPK12MAPK11
SCHEMBL9636145 0.87 PDE5A (0.47) PDE5APDE3BPDE3APDE10AKDM4E
SCHEMBL9634798 0.87 PDE5A (0.47) PDE5AGCGRMAPK13MAPK12MAPK11
SCHEMBL9636307 0.86 PDE5A (0.39) PDE5AGCGRMAPK13MAPK12MAPK11

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
US-5104881-A 2-ARYLIMIDAZOPYRIDINES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-04-14 US disclosed
US-4616090-A 2-arylimidazopyridines intermediates MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-10-07 US disclosed
EP-0072926-B1 2-ARYLIMIDAZOPYRIDINES MERCK PATENT GmbH (DE) 1986-09-24 EP disclosed