SCHEMBL5401565

SCHEMBL5401565

CC(=O)N1CCN(S(=O)(=O)c2cc(C)c3ncc(C(N)=O)c(Nc4cccc5c4CCO5)c3c2)CC1.COc1cc(Nc2c(C(N)=O)cnc3c(C)cc(S(=O)(=O)N4CCN(C(C)=O)CC4)cc23)ccc1F

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.58
CSF1R P07333 10/20 0.39
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL4625981 0.90 PDE4B (0.59) PDE4BCSF1RMEN1ALDH1A1MAPT
SCHEMBL4627622 0.89 PDE4B (0.73) PDE4BCSF1R
SCHEMBL1275592 0.84 PDE4B (0.51) PDE4BCSF1RMEN1ALDH1A1LMNA
SCHEMBL4627499 0.83 PDE4B (0.74) PDE4BCSF1RALDH1A1MAPT
SCHEMBL4627105 0.83 PDE4B (0.61) PDE4BALDH1A1LMNAMAPTKMT2A
SCHEMBL8312156 0.80 PDE4B (0.57) PDE4BCSF1R
SCHEMBL4625986 0.79 PDE4B (0.55) PDE4BCSF1R
SCHEMBL4625931 0.79 PDE4B (0.74) PDE4BCSF1R
Hydrochloric Acid SCHEMBL4264207 0.79 PDE4B (0.57) PDE4BCSF1R
SCHEMBL4627414 0.79 PDE4B (0.57) PDE4BCSF1R

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
JP-2007506703-A 2007-03-22 JP claimed
EP-1673086-A1 4-AMINOQUINOLINE-3-CARBOXAMIDE DERIVATIVES AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2006-06-28 EP claimed
WO-2005030212-A1 4-AMINOQUINOLINE-3-CARBOXAMIDE DERIVATIVES AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2005-04-07 WO claimed