SCHEMBL9634572

SCHEMBL9634572

O=C(O)COc1ccc(-c2nc3cnccc3[nH]2)c(O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.48
ADORA2B P29275 3/20 0.48
PDE2A O00408 1/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
P2RY12 Q9H244 1/20 0.44
FABP4 P15090 1/20 0.42
PTPN7 P35236 1/20 0.40
LPAR2 Q9HBW0 2/20 0.40
MAPT P10636 4/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
ADORA1 P30542 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GRK6 P43250 1/20 0.39
PPARD Q03181 1/20 0.39
TP53 P04637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
DGAT1 O75907 1/20 0.38

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
SCHEMBL9634529 0.90 PDE3B (0.43) ADORA2AADORA2BPDE2APDE3BPDE3A
SCHEMBL9635749 0.88 LPAR2 (0.43) ADORA2AADORA2BPDE3BPDE3AP2RY12
SCHEMBL9634292 0.87 PDE5A (0.49) ADORA2AADORA2BPDE2APDE3BPDE3A
SCHEMBL9634389 0.86 MAPT (0.45) ADORA2AADORA2BPDE2APDE3BPDE3A
SCHEMBL9634800 0.86 ADORA2A (0.54) ADORA2AADORA2BPDE3BPDE3AP2RY12
SCHEMBL9634973 0.85 CBFB (0.46) MAPTLMNAGAAMEN1KMT2A
SCHEMBL9635832 0.84 CHEK2 (0.42) PDE2APDE3BPDE3AP2RY12MAPT
SCHEMBL9635773 0.84 PDE3B (0.39) ADORA2AADORA2BPDE2APDE3BPDE3A
SCHEMBL9636296 0.84 PDE3B (0.39) ADORA2AADORA2BPDE2APDE3BPDE3A
SCHEMBL9636119 0.83 MEN1 (0.56) ADORA2AADORA2BPDE2APDE3BPDE3A

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 3 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-A1 2-Arylimidazopyridines MERCK PATENT GmbH (DE) 1983-03-02 EP disclosed