SCHEMBL9635647

SCHEMBL9635647

CCOC(=O)COc1ccc(-c2nc3ncccc3[nH]2)c(O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.55
ADORA2B P29275 1/20 0.55
PDE5A O76074 8/20 0.52
PDE2A O00408 1/20 0.51
PDE4A P27815 3/20 0.47
PDE4B Q07343 3/20 0.47
PDE4C Q08493 3/20 0.47
PDE4D Q08499 3/20 0.47
HPGD P15428 2/20 0.47
PDE3B Q13370 2/20 0.47
PDE3A Q14432 2/20 0.47
P2RY12 Q9H244 1/20 0.47
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
FAAH O00519 1/20 0.46
AURKA O14965 2/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL9635727 0.91 PDE2A (0.58) ADORA2AADORA2BPDE5APDE2APDE4A
SCHEMBL9636183 0.90 PDE5A (0.59) ADORA2AADORA2BPDE5APDE2APDE4A
SCHEMBL9634845 0.89 PDE2A (0.56) PDE5APDE2APDE4APDE4BPDE4C
SCHEMBL9635684 0.89 PDE2A (0.68) ADORA2BPDE5APDE2APDE4APDE4B
SCHEMBL9634703 0.86 PDE5A (0.57) ADORA2AADORA2BPDE5APDE2APDE4A
SCHEMBL9634867 0.85 PDE2A (0.52) ADORA2AADORA2BPDE5APDE2APDE4A
SCHEMBL9634247 0.85 PDE2A (0.52) ADORA2AADORA2BPDE5APDE2APDE4A
SCHEMBL9634921 0.85 AURKA (0.60) ADORA2AADORA2BFAAHAURKAPRMT5
SCHEMBL9634633 0.84 AURKA (0.63) PDE5APDE3BPDE3AP2RY12FAAH
SCHEMBL9635697 0.83 PDE2A (0.52) PDE5APDE2APDE4APDE4BPDE4C

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