SCHEMBL4627414

SCHEMBL4627414

COc1cc(Nc2c(C(N)=O)cnc3c(S(=O)(=O)N4CCN(C(C)=O)CC4)cccc23)ccc1F

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.57
CSF1R P07333 14/20 0.48
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 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
SCHEMBL4627150 0.92 PDE4B (0.61) PDE4BCSF1REGFRERBB2
SCHEMBL4627679 0.92 PDE4B (0.55) PDE4BCSF1R
SCHEMBL4627626 0.90 PDE4B (0.59) PDE4BCSF1R
SCHEMBL4627622 0.85 PDE4B (0.73) PDE4BCSF1R
SCHEMBL4950158 0.84 PDE4B (0.73) PDE4BCSF1REGFRERBB2
SCHEMBL4627403 0.84 PDE4B (0.72) PDE4BCSF1R
SCHEMBL4951004 0.80 PDE4B (0.58) PDE4BCSF1R
SCHEMBL4627716 0.80 PDE4B (0.60) PDE4BCSF1R
SCHEMBL5404672 0.79 PDE4B (0.65) PDE4BCSF1R
SCHEMBL5401565 0.79 PDE4B (0.58) 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