SCHEMBL4627716

SCHEMBL4627716

COc1cc(Nc2c(C(N)=O)cnc3c(S(=O)(=O)N4CCOCC4)cc(C)cc23)ccc1F

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.60
CSF1R P07333 11/20 0.48
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
ALDH1A1 P00352 1/20 0.44
KCNH2 Q12809 1/20 0.43

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
SCHEMBL4627626 0.90 PDE4B (0.59) PDE4BCSF1R
SCHEMBL4627499 0.88 PDE4B (0.74) PDE4BCSF1RGAAMAPTALDH1A1
SCHEMBL4627712 0.86 PDE4B (0.54) PDE4BCSF1RGAAMAPTALDH1A1
SCHEMBL4628792 0.85 PDE4B (0.57) PDE4BCSF1RGAAMAPTKCNH2
SCHEMBL4627091 0.84 PDE4B (0.54) PDE4BCSF1RGAAMAPT
SCHEMBL4951004 0.82 PDE4B (0.58) PDE4BCSF1R
SCHEMBL4952559 0.82 PDE4B (0.67) PDE4BCSF1R
SCHEMBL4627471 0.81 PDE4B (0.47) PDE4BCSF1RGAAMAPT
SCHEMBL4627150 0.81 PDE4B (0.61) PDE4BCSF1R
SCHEMBL12115499 0.81 PDE4B (0.78) 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 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