SCHEMBL4649795

SCHEMBL4649795

CC(C)c1ccc(-c2ccc3c(c2)CCC(=O)N3)cc1.O=C1CCCc2cc(-c3ccc4c(c3)OC(F)(F)O4)ccc2N1.O=C1CCc2cc(-c3ccc(C(F)(F)F)c(F)c3)ccc2N1.O=C1CNCc2cc(-c3ccc(C(F)(F)F)cc3)ccc2N1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 11/20 0.46
AKT1 P31749 1/20 0.34
ULK1 O75385 1/20 0.30
PTGS2 P35354 1/20 0.30
TDP2 O95551 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
MMP12 P39900 1/20 0.30
RAB9A P51151 1/20 0.30
GRIA1 P42261 1/20 0.30
KCNH2 Q12809 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
SCHEMBL4891714 0.74 KIF11 (0.49) KIF11NPC1MAPTMMP12RAB9A
SCHEMBL4596463 0.74 KIF11 (0.59) KIF11PTGS2MAPT
SCHEMBL4596019 0.72 KIF11 (0.44) KIF11AKT1PTGS2MAPT
SCHEMBL4890586 0.72 KIF11 (0.58) KIF11NPC1MAPTMMP12RAB9A
SCHEMBL3310186 0.72 KIF11 (0.70) KIF11ULK1NPC1MAPTMMP12
SCHEMBL4898372 0.71 KIF11 (0.72) KIF11AKT1TDP2GRIA1
SCHEMBL4888035 0.71 KIF11 (0.86) KIF11AKT1TDP2MAPT
SCHEMBL4888861 0.69 KIF11 (0.86) KIF11AKT1TDP2
SCHEMBL4899671 0.69 KIF11 (0.62) KIF11NPC1MAPTMMP12RAB9A
SCHEMBL1396616 0.68 KIF11 (1.00) KIF11AKT1TDP2NPC1MAPT

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-1874753-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 EP claimed
WO-2006113432-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 WO claimed