SCHEMBL4595229

SCHEMBL4595229

CS(=O)(=O)c1ccc(-c2ccc3c(c2)CCC(=O)N3)cc1.Nc1cc(-c2ccc(C(F)(F)F)cc2)cc2c1NC(=O)CC2.Nc1cc(-c2ccc3c(c2)CCC(=O)N3)ccc1C(F)(F)F.O=C1CCCc2cc(-c3ccc(S(=O)(=O)C(F)(F)F)cc3)ccc2N1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.49
PTGS2 P35354 4/20 0.39
PKM P14618 3/20 0.38
PKLR P30613 1/20 0.38
AKT1 P31749 1/20 0.34
ULK1 O75385 2/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CDK7 P50613 1/20 0.34
PTK2 Q05397 1/20 0.34
PTK2B Q14289 1/20 0.34
GAA P10253 1/20 0.34
PTGS1 P23219 1/20 0.33

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
SCHEMBL4595080 0.80 KIF11 (0.40) KIF11PTGS2PKMPKLRPTGS1
SCHEMBL4897585 0.78 KIF11 (0.58) KIF11PKMPKLRGAA
SCHEMBL4888989 0.75 KIF11 (0.68) KIF11PKMPKLRAKT1ULK1
SCHEMBL4596680 0.75 KIF11 (0.68) KIF11PKMPKLR
SCHEMBL4899215 0.74 KIF11 (0.62) KIF11AKT1
SCHEMBL4888035 0.73 KIF11 (0.86) KIF11PKMPKLRAKT1
SCHEMBL4899973 0.72 KIF11 (0.61) KIF11PKM
SCHEMBL4888861 0.71 KIF11 (0.86) KIF11PKMPKLRAKT1
SCHEMBL1396616 0.70 KIF11 (1.00) KIF11PKMPKLRAKT1
SCHEMBL4893622 0.70 KIF11 (0.47) KIF11PTGS2PTGS1

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