SCHEMBL9634114

SCHEMBL9634114

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 8/20 0.41
▸ TOP1 P11387 1/20 0.38
▸ TOP2A P11388 1/20 0.38
▸ 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
▸ CYP1A1 P04798 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP1B1 Q16678 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ CHEK2 O96017 1/20 0.35
▸ GSTP1 P09211 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

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
SCHEMBL9636307 0.96 PDE5A (0.39) PDE5ATOP1TOP2AGCGRMAPK13
SCHEMBL9634591 0.92 TOP1 (0.40) PDE5ATOP1TOP2AGCGRMAPK13
SCHEMBL9636138 0.91 PDE5A (0.46) PDE5AGCGRMAPK13MAPK12MAPK11
SCHEMBL9634827 0.90 PDE5A (0.41) PDE5AGCGRMAPK13MAPK12MAPK11
SCHEMBL9634582 0.88 PDE5A (0.40) PDE5ATOP1TOP2AGCGRMAPK13
SCHEMBL9634126 0.87 TOP1 (0.37) PDE5ATOP1TOP2AGCGRMAPK13
SCHEMBL9635731 0.87 TOP1 (0.37) PDE5ATOP1TOP2AGCGRMAPK13
SCHEMBL9634798 0.87 PDE5A (0.47) PDE5AGCGRMAPK13MAPK12MAPK11
SCHEMBL9634540 0.87 PDE5A (0.47) PDE5ATOP1TOP2APDE3BPDE3A
SCHEMBL9635784 0.86 MEN1 (0.38) PDE5ATOP1TOP2APDE3BPDE3A

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
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