SCHEMBL9634835

SCHEMBL9634835

C#CCOc1cccc(-c2nc3cnccc3[nH]2)c1OC

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 8/20 0.49
AMY1A P0DUB6 5/20 0.41
AURKA O14965 1/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
MAOB P27338 2/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FGFR1 P11362 1/20 0.35
FGFR2 P21802 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
SCHEMBL9634658 0.92 PDE5A (0.52) PDE5AAMY1AAURKAPDE3BPDE3A
SCHEMBL9634411 0.91 PDE5A (0.44) PDE5AAMY1AMAOBKDM4EALDH1A1
SCHEMBL9634920 0.88 PDE5A (0.44) PDE5AAMY1AKDM4EALDH1A1NPC1
SCHEMBL10737722 0.87 PDE5A (0.43) PDE5AAMY1AAURKAMAOBFGFR1
SCHEMBL9635443 0.87 PDE5A (0.53) PDE5AMAOBKDM4EALDH1A1
SCHEMBL7278363 0.85 PDE5A (0.62) PDE5AAMY1AAURKAPDE3BPDE3A
SCHEMBL9635975 0.85 PDE5A (0.46) PDE5AAMY1AAURKAPDE3BPDE3A
Hydrochloric Acid SCHEMBL10416659 0.84 PDE5A (0.63) PDE5AAMY1AAURKAPDE3BPDE3A
SCHEMBL11011131 0.83 MAOB (0.39) PDE5AAMY1AMAOBALDH1A1FGFR1
SCHEMBL9634736 0.81 PDE2A (0.47) PDE5AAMY1AAURKAPDE3BPDE3A

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