SCHEMBL9634602

SCHEMBL9634602

N#CCOc1ccccc1-c1nc2cnccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 13/20 0.53
PDE10A Q9Y233 3/20 0.51
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
TP53 P04637 1/20 0.47
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
PDE4A P27815 5/20 0.41
PDE4B Q07343 5/20 0.41
PDE4C Q08493 5/20 0.41
PDE4D Q08499 5/20 0.41
PIP4K2A P48426 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL9635443 0.88 PDE5A (0.53) PDE5APDE10AKDM4EALDH1A1TP53
SCHEMBL10742508 0.85 PDE5A (0.46) PDE5APDE10AKDM4EALDH1A1TP53
SCHEMBL9634527 0.85 PDE5A (0.39) PDE5APDE10AKDM4EALDH1A1TP53
SCHEMBL9635621 0.84 CDK4 (0.40) PDE5APDE10AKDM4EALDH1A1TP53
SCHEMBL9635639 0.84 PDE5A (0.62) PDE5APDE10AKDM4EALDH1A1PDE4A
SCHEMBL9636160 0.82 PDE2A (0.47) PDE5APDE10AKDM4EALDH1A1NPC1
SCHEMBL9635706 0.81 PDE5A (0.63) PDE5APDE10APDE4APDE4BPDE4C
SCHEMBL9635857 0.81 PDE5A (0.71) PDE5APDE10AKDM4EALDH1A1PDE4A
SCHEMBL9634482 0.81 PDE5A (0.38) PDE5APDE10AKDM4EALDH1A1TP53
SCHEMBL9636094 0.81 CBFB (0.41) PDE5APDE10AKDM4EALDH1A1TP53

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