SCHEMBL5763692

SCHEMBL5763692

Cc1cc(C(=O)NC2CCOCC2)cc2c(Nc3cccc4c3CCO4)c(C(N)=O)cnc12

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.54
KCNH2 Q12809 3/20 0.39
GABRA5 P31644 2/20 0.39
DRD2 P14416 2/20 0.38
HTR2A P28223 2/20 0.38
DRD3 P35462 2/20 0.38
CNR2 P34972 2/20 0.37
CSF1R P07333 2/20 0.37
ATM Q13315 1/20 0.36
ATR Q13535 1/20 0.36
TTK P33981 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36

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
SCHEMBL8305598 0.95 PDE4B (0.54) PDE4BDRD2HTR2ADRD3CSF1R
SCHEMBL5462967 0.89 PDE4B (0.50) PDE4BDRD2HTR2ADRD3TYK2
SCHEMBL4923595 0.87 PDE4B (0.53) PDE4BKCNH2CNR2CSF1RATM
SCHEMBL5457430 0.85 PDE4B (0.55) PDE4BCNR2CSF1R
SCHEMBL5763422 0.85 PDE4B (0.57) PDE4BCSF1R
SCHEMBL31020770 0.83 PDE4B (0.61) PDE4BKCNH2CSF1RATM
SCHEMBL5765982 0.82 PDE4B (0.52) PDE4BKCNH2CSF1RATM
SCHEMBL5399007 0.81 PDE4B (0.53) PDE4BCSF1R
SCHEMBL5404792 0.81 PDE4B (0.51) PDE4BCSF1RATR
SCHEMBL5405232 0.81 PDE4B (0.54) PDE4BCSF1RJAK2JAK3

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
EP-1673345-A1 DERIVATIVES OF 3-AMINOCARBONYLQUINOLINE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION GLAXO GROUP LIMITED (GB) 2006-06-28 EP disclosed
WO-2005030725-A1 DERIVATIVES OF 3-AMINOCARBONYLQUINOLINE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION GLAXO GROUP LIMITED (GB) 2005-04-07 WO disclosed