SCHEMBL9635808

SCHEMBL9635808

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.69
FAAH O00519 2/20 0.60
KMT2A Q03164 2/20 0.51
HPSE Q9Y251 1/20 0.50
PARP1 P09874 1/20 0.48
PRMT5 O14744 1/20 0.48
DYRK3 O43781 1/20 0.47
MAP4K4 O95819 1/20 0.47
PIM1 P11309 1/20 0.47
RPS6KB1 P23443 1/20 0.47
CSNK2A1 P68400 1/20 0.47
PKN2 Q16513 1/20 0.47
PIM3 Q86V86 1/20 0.47
BRSK1 Q8TDC3 1/20 0.47
AURKB Q96GD4 1/20 0.47
HIPK2 Q9H2X6 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
STK17A Q9UEE5 1/20 0.47
MAP4K5 Q9Y4K4 1/20 0.47

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
SCHEMBL9634633 0.89 AURKA (0.63) AURKAFAAHHPSEPRMT5DYRK3
SCHEMBL9635708 0.87 AURKA (0.66) AURKAFAAHKMT2AHPSEPRMT5
SCHEMBL9634574 0.87 AURKA (0.67) AURKAFAAHKMT2AHPSEPRMT5
SCHEMBL9634845 0.83 PDE2A (0.56) AURKAFAAHKMT2AHPSEKDM4E
SCHEMBL9634958 0.83 PDE2A (0.64) AURKAFAAHKMT2AKDM4EMEN1
SCHEMBL9636415 0.82 PDE2A (0.72) AURKAFAAHKMT2AKDM4EMEN1
SCHEMBL9635829 0.81 HDAC6 (0.50) AURKAKMT2AKDM4EMEN1ALDH1A1
SCHEMBL9634583 0.80 PDE2A (0.60) AURKAFAAHKMT2AKDM4EMEN1
SCHEMBL9636127 0.77 PDE5A (0.68) AURKAKMT2AKDM4EALDH1A1
SCHEMBL14091548 0.77 AURKA (0.68) AURKAFAAHPRMT5DYRK3MAP4K4

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