SCHEMBL6529198

SCHEMBL6529198

Cc1cccc2c(=O)c(C(=O)O)c(N3CCC(CN(C)CCC#N)C3)n(C3CC3)c12

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.33
FNTA P49354 1/20 0.31
FNTB P49356 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
SCHEMBL6509300 0.87 JAK3 (0.40) KCNH2FNTAFNTBJAK2JAK1
SCHEMBL6530270 0.75 JAK2 (0.38) KCNH2JAK2JAK3
SCHEMBL6529232 0.72 KCNH2 (0.42) KCNH2
SCHEMBL5458037 0.68 JAK2 (0.40) KCNH2JAK2JAK1TYK2JAK3
SCHEMBL6529870 0.68 KCNH2 (0.38) KCNH2
SCHEMBL5462498 0.68 KCNH2 (0.33) KCNH2JAK2JAK1TYK2JAK3
SCHEMBL5460601 0.65 KCNH2 (0.42) KCNH2JAK2JAK1TYK2JAK3
SCHEMBL9249913 0.65 KCNH2 (0.41) KCNH2
SCHEMBL5461935 0.65 KCNH2 (0.43) KCNH2JAK2JAK1TYK2JAK3
SCHEMBL5464806 0.65 KCNH2 (0.41) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005049602-A1 QUINOLONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-06-02 WO claimed