SCHEMBL5813228

SCHEMBL5813228

CCCCc1ccc(-c2cc3c(NC4CCCCC4)ncc(C#N)c3s2)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 18/20 0.42
▸ PDE4A P27815 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ KCNH2 Q12809 1/20 0.39
▸ SRC P12931 1/20 0.38

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
SCHEMBL5811825 0.82 CHEK1 (0.61) CHEK1KCNH2
SCHEMBL14543510 0.74 CHEK1 (0.48) CHEK1SRC
SCHEMBL4349145 0.73 CHEK1 (0.69) CHEK1KCNH2
SCHEMBL3082677 0.67 CHEK1 (0.69) CHEK1KCNH2
SCHEMBL21369984 0.67 IRAK4 (0.68) —
SCHEMBL5458116 0.66 JAK2 (0.41) SRC
SCHEMBL3118448 0.66 GABBR2 (0.63) PDE4APDE4BPDE4CPDE4D
SCHEMBL4564373 0.65 CHEK1 (0.68) CHEK1KCNH2
SCHEMBL3121999 0.65 PDE4A (0.45) PDE4APDE4BPDE4CPDE4D
SCHEMBL4355486 0.64 PDE4A (0.43) PDE4APDE4BPDE4CPDE4D

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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