SCHEMBL3428110

SCHEMBL3428110

NC(=O)c1cnc2[nH]ncc2c1NC1CCOCC1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.69
KCNH2 Q12809 6/20 0.53
ATM Q13315 3/20 0.53
ATR Q13535 1/20 0.53
JAK3 P52333 11/20 0.50
JAK2 O60674 8/20 0.50
JAK1 P23458 8/20 0.50
TYK2 P29597 1/20 0.44

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
SCHEMBL8342425 0.89 PDE4B (0.70) PDE4BKCNH2ATMATR
SCHEMBL2107056 0.83 JAK2 (0.72) PDE4BKCNH2JAK3JAK2JAK1
SCHEMBL2773376 0.82 PDE4B (1.00) PDE4BJAK3JAK1
SCHEMBL13609371 0.78 PDE4B (0.57) PDE4BKCNH2ATMATRJAK3
SCHEMBL13870222 0.78 PDE4B (0.62) PDE4BJAK3JAK2JAK1TYK2
SCHEMBL17241615 0.75 KCNH2 (0.67) PDE4BKCNH2ATMATRJAK3
SCHEMBL4340262 0.75 PDE4B (0.54) PDE4BKCNH2ATMATRJAK3
SCHEMBL5962970 0.75 PDE4B (0.64) PDE4B
SCHEMBL1561252 0.74 PDE4B (1.00) PDE4B
SCHEMBL5963166 0.73 PDE4B (0.54) PDE4BJAK3JAK2JAK1TYK2

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-2249646-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-11-17 EP claimed
WO-2009100169-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO claimed