SCHEMBL28869879

SCHEMBL28869879

O=c1ccc2ncc(CO)cc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 6/20 0.44
PDE3A Q14432 6/20 0.44
CBFB Q13951 5/20 0.40
MAPKAPK2 P49137 1/20 0.39
RPS6KA3 P51812 1/20 0.39
CSNK2A1 P68400 1/20 0.39
PLK3 Q9H4B4 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMYD3 Q9H7B4 1/20 0.39
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAOA P21397 1/20 0.33
DYRK1A Q13627 1/20 0.33
PARP1 P09874 1/20 0.33

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
SCHEMBL30010831 1.00 PDE3B (0.44) PDE3BPDE3ACBFBMAPKAPK2RPS6KA3
SCHEMBL30212441 0.87 CBFB (0.47) PDE3BPDE3ACBFBMAPKAPK2RPS6KA3
SCHEMBL19751457 0.83 PDE3B (0.44) PDE3BPDE3AMAPKAPK2RPS6KA3CSNK2A1
SCHEMBL30011367 0.83 MAPKAPK2 (0.39) PDE3BPDE3AMAPKAPK2RPS6KA3CSNK2A1
SCHEMBL27752625 0.83 MAPKAPK2 (0.39) PDE3BPDE3AMAPKAPK2RPS6KA3CSNK2A1
SCHEMBL28869893 0.83 MAPKAPK2 (0.39) PDE3BPDE3AMAPKAPK2RPS6KA3CSNK2A1
SCHEMBL31093789 0.75 F11 (0.47) PDE3BPDE3AMAPKAPK2RPS6KA3CSNK2A1
SCHEMBL4137137 0.75 F11 (0.47) PDE3BPDE3AMAPKAPK2RPS6KA3CSNK2A1
SCHEMBL25310874 0.74 GRIA1 (0.37) CBFBPARP1
SCHEMBL30511383 0.74 GRIA1 (0.37) CBFBPARP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115232121-B Pyridine derivative and application thereof in medicine 成都百裕制药股份有限公司 2023-08-29 CN disclosed
CN-115232121-A Pyridine derivative and application thereof in medicine 成都百裕制药股份有限公司 2022-10-25 CN disclosed