SCHEMBL9634810

SCHEMBL9634810

CCOC(=O)COc1ccc(-c2nc3cnccc3[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.51
ADORA2B P29275 1/20 0.51
PDE3B Q13370 1/20 0.49
PDE3A Q14432 1/20 0.49
P2RY12 Q9H244 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 3/20 0.48
PKN1 Q16512 1/20 0.48
PKN2 Q16513 1/20 0.48

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
SCHEMBL9636134 0.91 HDAC6 (0.47) ADORA2AADORA2BPDE3BPDE3AP2RY12
SCHEMBL9635755 0.90 ATP4A (0.48) ADORA2AADORA2BPDE3BPDE3AP2RY12
SCHEMBL9634385 0.89 HDAC3 (0.54) ADORA2BHDAC3HDAC4HDAC1HDAC7
SCHEMBL9634818 0.89 HDAC3 (0.47) ADORA2AADORA2BHDAC3HDAC4HDAC1
SCHEMBL9634891 0.87 PDE3B (0.48) PDE3BPDE3AP2RY12HDAC3HDAC4
SCHEMBL9634800 0.85 ADORA2A (0.54) ADORA2AADORA2BPDE3BPDE3AP2RY12
SCHEMBL9636119 0.85 MEN1 (0.56) ADORA2AADORA2BPDE3BPDE3AP2RY12
SCHEMBL9636406 0.84 ALDH1A1 (0.54) KDM4EALDH1A1PKN1PKN2CHEK2
SCHEMBL9634642 0.84 PDE3B (0.48) ADORA2AADORA2BPDE3BPDE3AP2RY12
SCHEMBL9635556 0.83 PDE3B (0.47) ADORA2AADORA2BPDE3BPDE3AP2RY12

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