SCHEMBL5779743

SCHEMBL5779743

CCN(CCC#N)CCC1CCN(c2ccc3c(=O)[nH]c(=O)n(C4CC4)c3c2C)C1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.40
JAK1 P23458 3/20 0.40
TYK2 P29597 3/20 0.40
JAK3 P52333 3/20 0.40
KCNH2 Q12809 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
SCHEMBL5458037 0.86 JAK2 (0.40) JAK2JAK1TYK2JAK3KCNH2
SCHEMBL5464559 0.83 JAK2 (0.37) JAK2JAK1TYK2JAK3KCNH2
SCHEMBL5465125 0.83 JAK2 (0.37) JAK2JAK1TYK2JAK3KCNH2
SCHEMBL5453164 0.82 KCNH2 (0.41) JAK2JAK1TYK2JAK3KCNH2
SCHEMBL5450730 0.82 JAK2 (0.38) JAK2JAK1TYK2JAK3KCNH2
SCHEMBL5469151 0.81 JAK2 (0.42) JAK2JAK1TYK2JAK3KCNH2
SCHEMBL5464646 0.81 JAK2 (0.36) JAK2JAK1TYK2JAK3
SCHEMBL5464854 0.79 JAK2 (0.37) JAK2JAK1TYK2JAK3KCNH2
SCHEMBL5781042 0.78 JAK2 (0.40) JAK2JAK1TYK2JAK3
SCHEMBL5470871 0.78 KCNH2 (0.47) JAK2JAK1TYK2JAK3KCNH2

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