SCHEMBL9636334

SCHEMBL9636334

C#CCOc1c(OCC)cccc1-c1nc2ncccc2[nH]1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 18/20 0.67
PDE4A P27815 9/20 0.56
PDE4B Q07343 9/20 0.56
PDE4C Q08493 9/20 0.56
PDE4D Q08499 9/20 0.56
AURKA O14965 1/20 0.54
CBFB Q13951 1/20 0.46
PDE2A O00408 1/20 0.45

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
SCHEMBL9635949 0.96 PDE5A (0.64) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL9634337 0.90 PDE5A (0.65) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL9635687 0.88 PDE5A (0.61) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL10908413 0.85 PDE5A (0.61) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL9635710 0.83 PDE5A (0.56) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL9635759 0.83 PDE5A (0.70) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL9634842 0.82 PDE5A (0.63) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL9635778 0.82 PDE5A (0.63) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL9634920 0.81 PDE5A (0.44) PDE5ACBFB
SCHEMBL9635743 0.80 PDE2A (0.60) PDE5APDE4APDE4BPDE4CPDE4D

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
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
EP-0072926-A1 2-Arylimidazopyridines MERCK PATENT GmbH (DE) 1983-03-02 EP disclosed