SCHEMBL9634633

SCHEMBL9634633

CCOC(=O)COc1cccc(-c2nc3ncccc3[nH]2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.63
FAAH O00519 2/20 0.56
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
P2RY12 Q9H244 1/20 0.47
PRMT5 O14744 3/20 0.47
HPSE Q9Y251 1/20 0.46
PDE5A O76074 1/20 0.46
DYRK3 O43781 1/20 0.46
MAP4K4 O95819 1/20 0.46
PIM1 P11309 1/20 0.46
RPS6KB1 P23443 1/20 0.46
CSNK2A1 P68400 1/20 0.46
PKN2 Q16513 1/20 0.46
PIM3 Q86V86 1/20 0.46
BRSK1 Q8TDC3 1/20 0.46
AURKB Q96GD4 1/20 0.46
HIPK2 Q9H2X6 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46

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
SCHEMBL9635808 0.89 AURKA (0.69) AURKAFAAHPRMT5HPSEDYRK3
SCHEMBL9634921 0.88 AURKA (0.60) AURKAFAAHPRMT5HPSE
SCHEMBL9635708 0.85 AURKA (0.66) AURKAFAAHPRMT5HPSE
SCHEMBL9635647 0.84 ADORA2A (0.55) AURKAFAAHPDE3BPDE3AP2RY12
SCHEMBL9635727 0.83 PDE2A (0.58) AURKAFAAHPDE3BPDE3AP2RY12
SCHEMBL9636183 0.82 PDE5A (0.59) AURKAFAAHPDE3BPDE3AP2RY12
SCHEMBL9635684 0.82 PDE2A (0.68) AURKAPDE3BPDE3AP2RY12PDE5A
SCHEMBL9634891 0.81 PDE3B (0.48) PDE3BPDE3AP2RY12PKN2F9
SCHEMBL9635045 0.80 AURKA (0.58) AURKAFAAHPRMT5HPSEPDE5A
SCHEMBL9634326 0.79 AURKA (0.57) AURKAFAAHPRMT5HPSEPDE5A

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