SCHEMBL13977853

SCHEMBL13977853

N#CC(C(=O)Nc1cccc(Nc2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c1)=C1CC1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PLK4 O00444 2/20 0.60
▸ EGFR P00533 3/20 0.59
▸ JAK2 O60674 9/20 0.59
▸ JAK3 P52333 6/20 0.59
▸ JAK1 P23458 3/20 0.55
▸ AURKA O14965 2/20 0.54
▸ MAPK8 P45983 1/20 0.54
▸ IGF1R P08069 3/20 0.52
▸ TYK2 P29597 2/20 0.51
▸ AURKB Q96GD4 1/20 0.50
▸ BTK Q06187 1/20 0.47
▸ PLK1 P53350 1/20 0.47

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
SCHEMBL18559720 0.87 EGFR (0.62) PLK4EGFRJAK2JAK3JAK1
SCHEMBL16204478 0.87 EGFR (0.62) PLK4EGFRJAK2JAK3JAK1
SCHEMBL13859328 0.84 EGFR (0.58) PLK4EGFRJAK2JAK3JAK1
SCHEMBL18559719 0.84 EGFR (0.58) PLK4EGFRJAK2JAK3JAK1
SCHEMBL13859327 0.84 EGFR (0.58) PLK4EGFRJAK2JAK3JAK1
SCHEMBL13859449 0.84 JAK3 (0.77) PLK4EGFRJAK2JAK3JAK1
SCHEMBL17059694 0.74 EGFR (1.00) EGFRJAK2JAK3JAK1TYK2
SCHEMBL28876010 0.74 JAK2 (0.71) PLK4EGFRJAK2JAK3JAK1
SCHEMBL29813539 0.74 JAK2 (0.71) PLK4EGFRJAK2JAK3JAK1
SCHEMBL16295705 0.72 PLK4 (0.72) PLK4EGFRJAK2JAK3JAK1

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
WO-2012158843-A2 KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-11-22 — — WO disclosed
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