SCHEMBL9634574

SCHEMBL9634574

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

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.67
FAAH O00519 1/20 0.60
PRMT5 O14744 3/20 0.60
HPSE Q9Y251 2/20 0.59
KMT2A Q03164 1/20 0.54
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52

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
SCHEMBL9634921 0.88 AURKA (0.60) AURKAFAAHPRMT5HPSE
SCHEMBL9635808 0.87 AURKA (0.69) AURKAFAAHPRMT5HPSEKMT2A
SCHEMBL9635691 0.86 PRMT5 (0.67) AURKAFAAHPRMT5HPSEKMT2A
SCHEMBL9635045 0.86 AURKA (0.58) AURKAFAAHPRMT5HPSE
SCHEMBL9634326 0.85 AURKA (0.57) AURKAFAAHPRMT5HPSE
SCHEMBL9634845 0.84 PDE2A (0.56) AURKAFAAHHPSEKMT2A
SCHEMBL9635762 0.84 AURKA (0.55) AURKAFAAHPRMT5HPSE
SCHEMBL9634958 0.83 PDE2A (0.64) AURKAFAAHKMT2A
SCHEMBL9636415 0.82 PDE2A (0.72) AURKAFAAHKMT2A
SCHEMBL9634583 0.81 PDE2A (0.60) AURKAFAAHKMT2A

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