SCHEMBL4627712

SCHEMBL4627712

Cc1cc(S(=O)(=O)N2CCOCC2)c2ncc(C(N)=O)c(Nc3cccc(F)c3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.54
ENPP2 Q13822 2/20 0.49
CSF1R P07333 3/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 3/20 0.44
HTT P42858 2/20 0.43
CASP1 P29466 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 2/20 0.42

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
SCHEMBL4628792 0.93 PDE4B (0.57) PDE4BCSF1RMEN1KMT2AGAA
SCHEMBL4627091 0.90 PDE4B (0.54) PDE4BENPP2CSF1RGAAMAPT
SCHEMBL4626932 0.88 PDE4B (0.59) PDE4BCSF1RGAAMAPT
SCHEMBL4627505 0.87 PDE4B (0.60) PDE4BENPP2CSF1RMEN1KMT2A
SCHEMBL4627716 0.86 PDE4B (0.60) PDE4BCSF1RALDH1A1GAAMAPT
SCHEMBL4949063 0.84 CSF1R (0.56) PDE4BCSF1RLMNA
SCHEMBL4627471 0.83 PDE4B (0.47) PDE4BCSF1RMEN1KMT2AHTT
SCHEMBL4627633 0.82 SYK (0.49) PDE4BCSF1R
SCHEMBL5402837 0.81 PDE4B (0.68) PDE4BCSF1RMEN1KMT2AALDH1A1
SCHEMBL4628322 0.81 PDE4B (0.57) PDE4BCSF1RGAAMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673086-B1 4-AMINOQUINOLINE-3-CARBOXAMIDE DERIVATIVES AS PDE4 INHIBITORS GLAXO GROUP LTD (GB) 2008-01-23 EP claimed