SCHEMBL4869478

SCHEMBL4869478

c1ccc(-c2coc3ncnc(NCc4ccccn4)c23)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.61
NOD1 Q9Y239 2/20 0.61
MAPK1 P28482 1/20 0.61
AURKA O14965 2/20 0.52
KCNA5 P22460 6/20 0.48
KCNH2 Q12809 4/20 0.48
JAK2 O60674 2/20 0.48
CDK2 P24941 2/20 0.48
TYK2 P29597 2/20 0.48
GSK3B P49841 2/20 0.48
JAK3 P52333 2/20 0.48
BTK Q06187 2/20 0.48
AURKB Q96GD4 2/20 0.48
IRAK4 Q9NWZ3 2/20 0.48
IGF1R P08069 1/20 0.48
PIM1 P11309 1/20 0.48
SRC P12931 1/20 0.48
CSNK2A2 P19784 1/20 0.48
JAK1 P23458 1/20 0.48
CCNE1 P24864 1/20 0.48

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
SCHEMBL4869591 0.91 KCNA5 (0.52) TNFNOD1MAPK1AURKAKCNA5
SCHEMBL4865901 0.78 KCNH2 (0.49) TNFNOD1MAPK1KCNA5KCNH2
SCHEMBL4867404 0.78 KCNH2 (0.47) TNFNOD1MAPK1KCNA5KCNH2
SCHEMBL4863471 0.78 CDK2 (0.50) TNFNOD1MAPK1KCNA5KCNH2
SCHEMBL27875856 0.78 KCNA5 (0.69) TNFNOD1MAPK1KCNA5KCNH2
SCHEMBL4860362 0.77 KCNH2 (0.51) TNFNOD1MAPK1KCNA5KCNH2
SCHEMBL4864910 0.77 PIK3CA (0.52) KCNA5KCNH2JAK2CDK2TYK2
SCHEMBL4862847 0.77 KCNA5 (0.48) TNFNOD1MAPK1KCNA5KCNH2
SCHEMBL4871028 0.76 AURKA (0.61) TNFNOD1MAPK1AURKAKCNA5
SCHEMBL2369019 0.76 MAPK1 (1.00) TNFNOD1MAPK1GSK3BBTK

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
US-7456187-B2 Furanopyrimidine compounds as potassium ion channel inhibitors XENTION LIMITED (GB) 2008-11-25 US claimed