SCHEMBL319430

SCHEMBL319430

Nc1cnccc1C1COCCO1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AOC1 P19801 2/20 0.33
AOC3 Q16853 2/20 0.33
MAPKAPK2 P49137 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KDM6B O15054 1/20 0.32
KDM4A O75164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4D Q6B0I6 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 1/20 0.32
RPS6KA3 P51812 1/20 0.30

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
SCHEMBL318775 0.78 AOC1 (0.38) AOC1AOC3KDM4EMEN1KDM6B
SCHEMBL1911019 0.77 AOC3 (0.33) AOC1AOC3KDM4EMEN1KDM6B
SCHEMBL19849321 0.77 AOC3 (0.33) AOC1AOC3KDM4EMEN1KDM6B
SCHEMBL319870 0.77 AOC3 (0.33) AOC1AOC3KDM4EMEN1KDM6B
SCHEMBL4846202 0.76 MAPKAPK2 (0.35) MAPKAPK2
SCHEMBL15779443 0.75 ATR (0.43) AOC1AOC3KDM4EMEN1KDM6B
SCHEMBL28231843 0.75
SCHEMBL14902619 0.74 AOC1 (0.31) AOC1AOC3
SCHEMBL14902618 0.74 AOC1 (0.31) AOC1AOC3
SCHEMBL29939336 0.71 RPS6KA3 (0.50) AOC1AOC3KDM4EMEN1KDM6B

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-2590968-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS Novartis AG (CH) 2013-05-15 EP disclosed
WO-2012004217-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-12 WO disclosed