SCHEMBL9635762

SCHEMBL9635762

CCCCCOC(=O)COc1ccc(-c2nc3ncccc3[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.55
PDE5A O76074 3/20 0.53
PDE4A P27815 3/20 0.53
PDE4B Q07343 3/20 0.53
PDE4C Q08493 3/20 0.53
PDE4D Q08499 3/20 0.53
PRMT5 O14744 3/20 0.53
FAAH O00519 1/20 0.52
HPSE Q9Y251 1/20 0.49

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
SCHEMBL9634326 0.98 AURKA (0.57) AURKAPDE5APDE4APDE4BPDE4C
SCHEMBL9635045 0.93 AURKA (0.58) AURKAPDE5APDE4APDE4BPDE4C
SCHEMBL9634921 0.88 AURKA (0.60) AURKAPRMT5FAAHHPSE
SCHEMBL9634574 0.84 AURKA (0.67) AURKAPRMT5FAAHHPSE
SCHEMBL9634818 0.81 HDAC3 (0.47) PDE5A
SCHEMBL9635691 0.80 PRMT5 (0.67) AURKAPRMT5FAAHHPSE
SCHEMBL9635755 0.78 ATP4A (0.48)
SCHEMBL9634633 0.77 AURKA (0.63) AURKAPDE5APRMT5FAAHHPSE
SCHEMBL14091556 0.74 ACHE (0.70) AURKAPDE5APDE4APDE4BPDE4C
SCHEMBL9635647 0.74 ADORA2A (0.55) AURKAPDE5APDE4APDE4BPDE4C

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