SCHEMBL5801602

SCHEMBL5801602

Cc1c(N2CCC(C)(CN(C)CCC#N)C2)c(F)cc2c(=O)[nH]c(=O)n(C3CC3)c12.Cc1c(N2CCC(C)(CN(C)CCC#N)C2)c(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.35
SCN5A Q14524 1/20 0.31
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30

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
SCHEMBL5459809 0.94 KCNH2 (0.38) KCNH2SCN5A
SCHEMBL5457750 0.93 KCNH2 (0.37) KCNH2SCN5AJAK2JAK1TYK2
SCHEMBL5801490 0.87 KCNH2 (0.32) KCNH2
SCHEMBL5466789 0.85 KCNH2 (0.38) KCNH2SCN5A
SCHEMBL5466372 0.84 KCNH2 (0.35) KCNH2
SCHEMBL5453097 0.84 KCNH2 (0.38) KCNH2SCN5AJAK2JAK1TYK2
SCHEMBL5469009 0.84 KCNH2 (0.34) KCNH2JAK2JAK1TYK2JAK3
SCHEMBL5801132 0.81 KCNH2 (0.35) KCNH2SCN5A
SCHEMBL5798838 0.81 KCNH2 (0.38) KCNH2SCN5AJAK2JAK1TYK2
SCHEMBL5800341 0.80 KCNH2 (0.39) 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-1687296-A1 ANTIBACTERIAL AMINOQUINAZOLIDINEDIONE DERIVATIVES Warner-Lambert Company LLC (US) 2006-08-09 EP disclosed
WO-2005049605-A1 ANTIBACTERIAL AMINOQUINAZOLIDINEDIONE DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2005-06-02 WO disclosed