SCHEMBL5801631

SCHEMBL5801631

Cc1c(N2CCC(CC(C#N)NC(N)(CC#N)C3CCN(c4ccc5c(=O)n(N)c(=O)n(C6CC6)c5c4C)C3)C2)ccc2c(=O)[nH]c(=O)n(C3CC3)c12

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33

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
SCHEMBL5799781 0.87 KCNH2 (0.34) JAK2JAK1TYK2JAK3
SCHEMBL5798344 0.83 TOP1 (0.37)
SCHEMBL5798140 0.81 KCNH2 (0.36)
SCHEMBL5797645 0.81
SCHEMBL5823149 0.75
SCHEMBL5820751 0.74 JAK2 (0.33) JAK2JAK1TYK2JAK3
SCHEMBL5801958 0.73 JAK2 (0.35) JAK2JAK1TYK2JAK3
SCHEMBL5799140 0.71 KCNH2 (0.35)
SCHEMBL5467095 0.71 KCNH2 (0.33) JAK2JAK1TYK2JAK3
SCHEMBL5801347 0.71 KCNH2 (0.33)

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 claimed
WO-2005049605-A1 ANTIBACTERIAL AMINOQUINAZOLIDINEDIONE DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2005-06-02 WO claimed