SCHEMBL4595996

SCHEMBL4595996

Nc1cc(-c2ccc(C(F)(F)F)c(F)c2)cc2c1NC(=O)CC2.O=C(O)C1Cc2cc(-c3ccc(C(F)(F)F)cc3)ccc2NC1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 13/20 0.47
TDP2 O95551 1/20 0.34
AKT1 P31749 2/20 0.34
TPH1 P17752 1/20 0.32
ULK1 O75385 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
CDK1 P06493 1/20 0.31
KIT P10721 1/20 0.31
CDK2 P24941 1/20 0.31
KDR P35968 1/20 0.31

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
SCHEMBL4893622 0.81 KIF11 (0.47) KIF11TDP2
SCHEMBL4594888 0.80 KIF11 (0.56) KIF11TDP2AKT1PDE3BPDE3A
SCHEMBL4899215 0.76 KIF11 (0.62) KIF11TDP2AKT1DDB1CRBN
SCHEMBL4887887 0.73 KIF11 (0.55) KIF11TDP2AKT1PDE3BPDE3A
SCHEMBL4595128 0.73 KIF11 (0.50) KIF11TDP2
SCHEMBL3310186 0.72 KIF11 (0.70) KIF11ULK1PDE3BPDE3A
SCHEMBL4596418 0.71 KIF11 (0.55) KIF11TDP2AKT1PDE3BPDE3A
SCHEMBL4596412 0.71 KIF11 (0.55) KIF11TDP2AKT1PDE3BPDE3A
SCHEMBL4893178 0.71 KIF11 (0.63) KIF11TDP2
SCHEMBL4596404 0.70 KIF11 (0.44) KIF11

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