Sugi Predict

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SCHEMBL5799322

SCHEMBL5799322

COc1c(N2CCC(C3(NCCC#N)CC3)C2)ccc2c(=O)[nH]c(=O)n(C3CC3)c12.COc1c(N2CCC(C3(NCCC#N)CC3)C2)ccc2c(=O)n(N)c(=O)n(C3CC3)c12

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ KCNH2 Q12809 2/20 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
SCHEMBL5465766 0.94 CYP3A4 (0.37) CYP3A4KCNH2
SCHEMBL5460702 0.93 JAK2 (0.38) JAK2JAK1TYK2JAK3CYP3A4
SCHEMBL5798855 0.86 CYP3A4 (0.34) JAK2JAK1TYK2JAK3CYP3A4
SCHEMBL5823221 0.85 KCNH2 (0.39) JAK2JAK1TYK2JAK3KCNH2
SCHEMBL5467100 0.84 KCNH2 (0.35) JAK2JAK1KCNH2
SCHEMBL5798813 0.83 KCNH2 (0.41) KCNH2
SCHEMBL5464739 0.83 JAK2 (0.39) JAK2JAK1TYK2JAK3KCNH2
SCHEMBL5820914 0.80 KCNH2 (0.40) JAK2JAK1TYK2JAK3KCNH2
SCHEMBL5465810 0.80 KCNH2 (0.41) KCNH2
SCHEMBL5799174 0.79 KCNH2 (0.36) 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