SCHEMBL9634527

SCHEMBL9634527

N#CCOc1ccc(-c2nc3cnccc3[nH]2)c(OCC#N)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 6/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
PDE10A Q9Y233 2/20 0.38
TP53 P04637 1/20 0.38
PDE2A O00408 1/20 0.37
GCGR P47871 2/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
HPGD P15428 1/20 0.33
PKN1 Q16512 1/20 0.33
PKN2 Q16513 1/20 0.33

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
SCHEMBL9634126 0.95 TOP1 (0.37) PDE5APDE3BPDE3AKDM4EALDH1A1
SCHEMBL9635731 0.95 TOP1 (0.37) PDE5APDE3BPDE3AKDM4EALDH1A1
SCHEMBL9636211 0.94 PDE5A (0.40) PDE5APDE3BPDE3AKDM4EALDH1A1
SCHEMBL9636094 0.94 CBFB (0.41) PDE5APDE3BPDE3AKDM4EALDH1A1
SCHEMBL9636145 0.92 PDE5A (0.47) PDE5APDE3BPDE3AKDM4EALDH1A1
SCHEMBL9636160 0.92 PDE2A (0.47) PDE5APDE3BPDE3AKDM4EALDH1A1
SCHEMBL9635840 0.92 PDE5A (0.39) PDE5APDE3BPDE3AKDM4EALDH1A1
SCHEMBL9634827 0.92 PDE5A (0.41) PDE5APDE3BPDE3AKDM4EALDH1A1
SCHEMBL9635841 0.91 LMNA (0.36) PDE5APDE3BPDE3AKDM4EALDH1A1
SCHEMBL9634902 0.91 PDE5A (0.34) 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