SCHEMBL5399856

SCHEMBL5399856

COC1Cc2c(ncn2-c2cc(OCc3ccccc3C(F)(F)F)c(C#N)s2)C=C1OCCCO

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 7/20 0.62
PLK1 P53350 13/20 0.55
NEK2 P51955 4/20 0.41
CSF1R P07333 3/20 0.41
KDR P35968 3/20 0.41
LIMK1 P53667 3/20 0.41
STK3 Q13188 3/20 0.41
DYRK1A Q13627 3/20 0.41
BRSK1 Q8TDC3 3/20 0.41
PLK3 Q9H4B4 3/20 0.41
CLK4 Q9HAZ1 3/20 0.41
MAP4K5 Q9Y4K4 3/20 0.41
PLK4 O00444 2/20 0.41
AURKA O14965 2/20 0.41
JAK2 O60674 2/20 0.41
LCK P06239 2/20 0.41
FGFR1 P11362 2/20 0.41
SRC P12931 2/20 0.41
FLT1 P17948 2/20 0.41
CDK2 P24941 2/20 0.41

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
SCHEMBL5403798 0.92 PLK1 (0.62) IKBKEPLK1NEK2CSF1RKDR
SCHEMBL5410566 0.88 IKBKE (0.66) IKBKEPLK1NEK2CSF1RKDR
SCHEMBL5409630 0.79 IKBKE (0.64) IKBKEPLK1TBK1
SCHEMBL5399351 0.77 IKBKE (0.63) IKBKEPLK1NEK2KDRPLK3
SCHEMBL5769049 0.77 IKBKE (0.44) IKBKEPLK1TBK1
SCHEMBL5408899 0.77 IKBKE (0.41) IKBKEPLK1TBK1
SCHEMBL4034641 0.77 IKBKE (1.00) IKBKEPLK1NEK2CSF1RKDR
SCHEMBL5395239 0.76 IKBKE (0.43) IKBKEPLK1TBK1
SCHEMBL5394634 0.76 IKBKE (0.45) IKBKEPLK1TBK1
SCHEMBL5402250 0.75 IKBKE (0.41) IKBKEPLK1CSF1RTBK1KIT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007522142-A 2007-08-09 JP claimed
EP-1720864-A1 BENZIMIDAZOL SUBSTITUTED THIOPHENE DERIVATIVES WITH ACTIVITY ON IKK3 GLAXO GROUP LIMITED (GB) 2006-11-15 EP claimed
WO-2005075465-A1 BENZIMIDAZOL SUBSTITUTED THIOPENE DERIVATIVES WITH ATCTIVITY ON IKK3 GLAXO GROUP LIMITED (GB) 2005-08-18 WO claimed