SCHEMBL5811825

SCHEMBL5811825

CCCCc1ccc(-c2cc3c(NC4CCCCC4)ncc(C(N)=O)c3s2)cc1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 20/20 0.61
▸ KCNH2 Q12809 1/20 0.59

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
SCHEMBL4564373 0.84 CHEK1 (0.68) CHEK1KCNH2
SCHEMBL5813228 0.82 CHEK1 (0.42) CHEK1KCNH2
SCHEMBL3088077 0.78 CHEK1 (0.78) CHEK1KCNH2
SCHEMBL13606532 0.77 CHEK1 (0.63) CHEK1KCNH2
SCHEMBL4494960 0.77 CHEK1 (0.63) CHEK1KCNH2
SCHEMBL3079972 0.77 CHEK1 (0.76) CHEK1KCNH2
SCHEMBL5776554 0.77 CHEK1 (0.53) CHEK1KCNH2
SCHEMBL4509789 0.76 CHEK1 (0.62) CHEK1KCNH2
SCHEMBL13010134 0.75 CHEK1 (1.00) CHEK1KCNH2
SCHEMBL3064079 0.75 CHEK1 (1.00) CHEK1KCNH2

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-1556053-A4 ANTIINFLAMMATION AGENTS AMGEN INC (US) 2006-04-19 — — EP disclosed
EP-1556053-A1 ANTIINFLAMMATION AGENTS Amgen Inc. (US) 2005-07-27 — — EP disclosed
WO-2004041285-A1 ANTIINFLAMMATION AGENTS AMGEN INC. (US) 2004-05-21 — — WO disclosed
Send feedback