SCHEMBL9635715

SCHEMBL9635715

C#CCSc1ccc(-c2nc3cnccc3[nH]2)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.47
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
AMY1A P0DUB6 9/20 0.38
AAK1 Q2M2I8 1/20 0.38
PDE2A O00408 1/20 0.36
CDK4 P11802 1/20 0.36
CCNA2 P20248 1/20 0.36
CCND1 P24385 1/20 0.36
CDK2 P24941 1/20 0.36
CCND3 P30281 1/20 0.36
HPSE Q9Y251 1/20 0.35
ENPP1 P22413 1/20 0.34
SLC2A1 P11166 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
SCHEMBL9634871 0.90 PDE5A (0.47) PDE5APDE3BPDE3AKDM4EALDH1A1
SCHEMBL10914453 0.87 PDE5A (0.43) PDE5APDE3BPDE3AKDM4EALDH1A1
SCHEMBL7272787 0.87 PDE5A (0.50) PDE5APDE3BPDE3AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL7270687 0.86 PDE5A (0.50) PDE5APDE3BPDE3AKDM4EALDH1A1
SCHEMBL7271872 0.85 PDE5A (0.48) PDE5APDE3BPDE3AKDM4EALDH1A1
SCHEMBL7271721 0.83 PDE5A (0.53) PDE5APDE3BPDE3AKDM4EALDH1A1
SCHEMBL7278459 0.83 PDE5A (0.47) PDE5APDE3BPDE3AKDM4EALDH1A1
SCHEMBL9634366 0.83 PDE5A (0.47) PDE5APDE3BPDE3AKDM4EALDH1A1
SCHEMBL11010093 0.82 PDE5A (0.35) PDE5APDE3BPDE3AAMY1AAAK1
SCHEMBL9636125 0.82 PDE5A (0.48) PDE5APDE3BPDE3AKDM4EALDH1A1

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