SCHEMBL10695856

SCHEMBL10695856

CC(C)COc1nc2ncccc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 8/20 0.61
PDE4A P27815 5/20 0.61
PDE4B Q07343 5/20 0.61
PDE4C Q08493 5/20 0.61
PDE4D Q08499 5/20 0.61
NUDT1 P36639 1/20 0.47
AURKA O14965 4/20 0.44
METAP1 P53582 2/20 0.43
METAP2 P50579 1/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 2/20 0.43
TP53 P04637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP2C9 P11712 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41

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
SCHEMBL10696479 0.83 PDE5A (0.60) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL29745294 0.83 PDE5A (0.60) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL10695892 0.79 PDE5A (0.60) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL23122458 0.78 AURKA (0.58) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL27678090 0.77 AURKA (0.56) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL10697822 0.75 NUDT1 (0.47) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL805162 0.71 NUDT1 (0.55) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL3997802 0.71 PDE5A (0.50) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL18786110 0.70 NUDT1 (0.49) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL14091130 0.69 NUDT1 (0.56) PDE5APDE4APDE4BPDE4CPDE4D

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0254588-A1 Imidazo[4,5-b] pyridine compounds, process for preparing same and pharmaceutical compositions containing same TOKYO TANABE COMPANY LIMITED (JP) 1988-01-27 EP claimed