SCHEMBL9634540

SCHEMBL9634540

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 6/20 0.47
PDE3B Q13370 2/20 0.47
PDE3A Q14432 2/20 0.47
PDE2A O00408 1/20 0.47
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
MELK Q14680 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
TOP1 P11387 1/20 0.38
TOP2A P11388 1/20 0.38
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.38
CDK4 P11802 1/20 0.37
CCNA2 P20248 1/20 0.37
CCND1 P24385 1/20 0.37
CDK2 P24941 1/20 0.37
CCND3 P30281 1/20 0.37
AMY1A P0DUB6 2/20 0.37
CYP1A2 P05177 2/20 0.36

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
SCHEMBL9634591 0.92 TOP1 (0.40) PDE5APDE3BPDE3APDE2ATOP1
SCHEMBL9634736 0.92 PDE2A (0.47) PDE5APDE3BPDE3APDE2AKDM4E
SCHEMBL9636101 0.92 PDE5A (0.46) PDE5APDE3BPDE3APDE2AKDM4E
SCHEMBL10962083 0.91 PDE5A (0.42) PDE5APDE3BPDE3APDE2AKDM4E
SCHEMBL9634582 0.91 PDE5A (0.40) PDE5APDE3BPDE3APDE2AKDM4E
SCHEMBL9636145 0.89 PDE5A (0.47) PDE5APDE3BPDE3APDE2AKDM4E
SCHEMBL9634624 0.88 CBFB (0.41) PDE5APDE3BPDE3APDE2AKDM4E
SCHEMBL9635731 0.88 TOP1 (0.37) PDE5APDE3BPDE3APDE2AKDM4E
SCHEMBL9634126 0.88 TOP1 (0.37) PDE5APDE3BPDE3APDE2AKDM4E
SCHEMBL10733841 0.87 PDE2A (0.46) PDE5APDE3BPDE3APDE2AKDM4E

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 7 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 claimed
EP-0072926-B1 2-ARYLIMIDAZOPYRIDINES MERCK PATENT GmbH (DE) 1986-09-24 EP claimed
EP-0072926-A1 2-Arylimidazopyridines MERCK PATENT GmbH (DE) 1983-03-02 EP claimed
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