SCHEMBL4071023

SCHEMBL4071023

NC1CCCc2ccc(CC(F)(F)F)nc21

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
IRAK4 Q9NWZ3 2/20 0.31

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
SCHEMBL4073537 0.80 ACHE (0.35) CYP11B1CYP11B2IRAK4
SCHEMBL3858516 0.78 CTSK (0.34) IRAK4
SCHEMBL31380354 0.77 CYP11B1 (0.38) CYP11B1CYP11B2IRAK4
SCHEMBL4245388 0.75 HRH4 (0.37) IRAK4
SCHEMBL11855735 0.75 KCNH2 (0.36) IRAK4
SCHEMBL2363395 0.74 KCNH2 (0.41) IRAK4
SCHEMBL31380312 0.71 MBOAT4 (0.33) IRAK4
SCHEMBL3864358 0.71 IRAK4 (0.44) CYP11B1CYP11B2IRAK4
SCHEMBL2303573 0.71 IRAK4 (0.37) IRAK4
SCHEMBL5054743 0.71 IRAK4 (0.44) CYP11B1CYP11B2IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784185-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-06-03 EP disclosed
EP-1784185-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2007-05-16 EP disclosed
WO-2006028896-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-03-16 WO disclosed