SCHEMBL9634857

SCHEMBL9634857

C#CCOc1ccc(-c2nc3ncccc3[nH]2)cc1OCC

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 6/20 0.55
MAPT P10636 1/20 0.50
MAOB P27338 3/20 0.49
AURKA O14965 6/20 0.49
NPY5R Q15761 1/20 0.47
PDE4A P27815 4/20 0.45
PDE4B Q07343 4/20 0.45
PDE4C Q08493 4/20 0.45
PDE4D Q08499 4/20 0.45
PRMT5 O14744 2/20 0.45
PDE2A O00408 1/20 0.42

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
SCHEMBL9635725 1.00 PDE5A (0.55) PDE5AMAPTMAOBAURKANPY5R
SCHEMBL9635680 0.90 AURKA (0.56) PDE5AMAPTMAOBAURKANPY5R
SCHEMBL9635658 0.90 AURKA (0.56) PDE5AMAOBAURKANPY5RPRMT5
SCHEMBL9635710 0.88 PDE5A (0.56) PDE5AAURKANPY5RPDE4APDE4B
SCHEMBL9634821 0.86 PARP1 (0.49) PDE5AAURKANPY5RPRMT5PDE2A
SCHEMBL9634352 0.84 AURKA (0.48) PDE5AAURKANPY5RPRMT5
SCHEMBL10908413 0.83 PDE5A (0.61) PDE5AAURKAPDE4APDE4BPDE4C
SCHEMBL9635813 0.82 AURKA (0.54) PDE5AAURKANPY5RPDE4APDE4B
SCHEMBL9635778 0.82 PDE5A (0.63) PDE5AAURKAPDE4APDE4BPDE4C
SCHEMBL9636135 0.80 AURKA (0.54) PDE5AAURKAPDE4APDE4BPDE4C

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