SCHEMBL5776554

SCHEMBL5776554

CCCCc1ccc(-c2cc3c(N4CCC(CO)CC4)ncc(C(N)=O)c3s2)cc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 18/20 0.53
▸ JAK2 O60674 2/20 0.46
▸ JAK1 P23458 2/20 0.46
▸ TYK2 P29597 2/20 0.46
▸ JAK3 P52333 2/20 0.46
▸ KCNH2 Q12809 4/20 0.41

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
SCHEMBL4497921 0.85 CHEK1 (0.56) CHEK1JAK2JAK1TYK2JAK3
SCHEMBL5811825 0.77 CHEK1 (0.61) CHEK1KCNH2
SCHEMBL4560032 0.76 CHEK1 (0.62) CHEK1JAK2JAK1TYK2JAK3
SCHEMBL13606531 0.75 CHEK1 (0.56) CHEK1JAK2JAK1TYK2JAK3
SCHEMBL4491370 0.73 CHEK1 (0.54) CHEK1JAK2JAK1TYK2JAK3
SCHEMBL4498049 0.71 JAK2 (0.65) CHEK1JAK2JAK1TYK2JAK3
SCHEMBL13606557 0.69 JAK2 (0.62) CHEK1JAK2JAK1TYK2JAK3
SCHEMBL13606547 0.68 JAK2 (0.63) CHEK1JAK2JAK1TYK2JAK3
SCHEMBL13606579 0.67 JAK2 (0.57) CHEK1JAK2JAK1TYK2JAK3
SCHEMBL13606580 0.67 JAK2 (0.59) CHEK1JAK2JAK1TYK2JAK3

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
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