SCHEMBL16208447

SCHEMBL16208447

O=C1CCc2cc(Nc3cccc(OC(F)(F)F)c3)ccc2N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 14/20 1.00
CRBN Q96SW2 1/20 0.56
ULK1 O75385 2/20 0.52
PKM P14618 2/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PKLR P30613 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
SCHEMBL16208517 0.84 KIF11 (0.72) KIF11CRBNPKMMAPT
SCHEMBL16208498 0.83 KIF11 (0.71) KIF11CRBNULK1PKM
SCHEMBL16208463 0.81 KIF11 (1.00) KIF11ULK1PKMPKLR
SCHEMBL30122307 0.81 KIF11 (0.73) KIF11PKMMAPTSMN1; SMN2PKLR
SCHEMBL3468129 0.81 KIF11 (0.69) KIF11MAPTSMN1; SMN2
SCHEMBL28956489 0.81 KIF11 (0.73) KIF11PKMMAPTSMN1; SMN2PKLR
SCHEMBL16208480 0.79 KIF11 (0.72) KIF11CRBNULK1PKM
SCHEMBL16208488 0.78 KIF11 (1.00) KIF11CRBNULK1PKMPKLR
SCHEMBL16208500 0.77 KIF11 (0.67) KIF11CRBNPKM
SCHEMBL16208502 0.77 KIF11 (0.67) KIF11CRBNULK1PKM

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