SCHEMBL5799781

SCHEMBL5799781

Cc1c(N2CCC(CC(C#N)NC(N)(CC#N)C3CCN(c4c(F)cc5c(=O)n(N)c(=O)n(C6CC6)c5c4C)C3)C2)c(F)cc2c(=O)[nH]c(=O)n(C3CC3)c12

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.34
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31

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
SCHEMBL5798140 0.92 KCNH2 (0.36) KCNH2
SCHEMBL5801631 0.87 JAK2 (0.33) JAK2JAK1TYK2JAK3
SCHEMBL5798344 0.86 TOP1 (0.37)
SCHEMBL5799414 0.78 KCNH2 (0.37) KCNH2
SCHEMBL5465780 0.76 KCNH2 (0.45) KCNH2
SCHEMBL5798739 0.76 KCNH2 (0.37) KCNH2
SCHEMBL5798546 0.74 KCNH2 (0.44) KCNH2
SCHEMBL5461950 0.74 KCNH2 (0.44) KCNH2
SCHEMBL6668371 0.74 KCNH2 (0.45) KCNH2
SCHEMBL4512183 0.74 KCNH2 (0.44) 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