SCHEMBL3666949

SCHEMBL3666949

COc1ccc2ncc(=O)n(-c3cnc4c(c3)COCC4CNCc3ccc4c(n3)OC(=O)CN4)c2n1

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.33

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
SCHEMBL3719019 0.83 KCNH2 (0.37) KCNH2
SCHEMBL3016541 0.83 KCNH2 (0.50) KCNH2
SCHEMBL3020131 0.83 KCNH2 (0.46) KCNH2
Hydrochloric Acid SCHEMBL3027130 0.82 KCNH2 (0.49) KCNH2
SCHEMBL3026655 0.79 KCNH2 (0.36) KCNH2
SCHEMBL3022542 0.79 CYP1A2 (0.36) KCNH2
SCHEMBL3027712 0.79 CRBN (0.34) KCNH2
SCHEMBL3670290 0.78 KCNH2 (0.31) KCNH2
Hydrochloric Acid SCHEMBL3027143 0.78 CRBN (0.33) KCNH2
SCHEMBL3664047 0.72 KCNH2 (0.40) KCNH2

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-2139898-A1 COMPOUNDS Glaxo Group Limited (GB) 2010-01-06 EP disclosed
WO-2008128961-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-10-30 WO disclosed