SCHEMBL16208482

SCHEMBL16208482

O=C1CCc2cc(Nc3cncc(C(F)(F)F)n3)ccc2N1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.61
ULK1 O75385 9/20 0.57
TNIK Q9UKE5 1/20 0.49
PTK2B Q14289 2/20 0.47
PTK2 Q05397 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
SCHEMBL16208446 0.85 KIF11 (0.64) KIF11ULK1TNIKPTK2BPTK2
SCHEMBL16208464 0.79 KIF11 (0.75) KIF11ULK1
SCHEMBL16208470 0.77 ULK1 (0.66) KIF11ULK1PTK2BPTK2
SCHEMBL16208488 0.76 KIF11 (1.00) KIF11ULK1
SCHEMBL16208486 0.76 KIF11 (1.00) KIF11ULK1TNIK
SCHEMBL17544974 0.75 ULK1 (0.58) KIF11ULK1PTK2BPTK2
SCHEMBL16208485 0.74 KIF11 (0.85) KIF11ULK1
SCHEMBL29575705 0.73 PTK2B (0.82) KIF11ULK1PTK2BPTK2
SCHEMBL17545058 0.73 PTK2B (0.82) KIF11ULK1PTK2BPTK2
SCHEMBL21374241 0.73 ULK1 (0.77) KIF11ULK1PTK2BPTK2

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-2014174745-A1 Eg5 INHIBITOR 国立大学法人京都大学 (JP) 2014-10-30 WO disclosed