SCHEMBL4038336

SCHEMBL4038336

COc1cc2ncn(C3=CC(O[C@H](C)c4ccccc4C(F)(F)F)C(=S)C(C#N)=C3)c2cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 6/20 0.57
PLK1 P53350 13/20 0.47
PLK3 Q9H4B4 6/20 0.40
FGFR1 P11362 3/20 0.40
SRC P12931 3/20 0.40
PLK4 O00444 2/20 0.40
AURKA O14965 2/20 0.40
JAK2 O60674 2/20 0.40
LCK P06239 2/20 0.40
CSF1R P07333 2/20 0.40
FLT1 P17948 2/20 0.40
CDK2 P24941 2/20 0.40
AXL P30530 2/20 0.40
FLT4 P35916 2/20 0.40
KDR P35968 2/20 0.40
GSK3B P49841 2/20 0.40
NEK2 P51955 2/20 0.40
JAK3 P52333 2/20 0.40
LIMK1 P53667 2/20 0.40
STK3 Q13188 2/20 0.40

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
SCHEMBL4037455 0.81 IKBKE (0.40) IKBKEPLK1FGFR1SRC
SCHEMBL4033248 0.79 IKBKE (0.46) IKBKEPLK1PLK3FGFR1SRC
SCHEMBL4038228 0.79 IKBKE (0.61) IKBKEPLK1PLK3FGFR1SRC
SCHEMBL4033043 0.77 PLK1 (0.48) IKBKEPLK1PLK3FGFR1SRC
SCHEMBL4033243 0.77 IKBKE (0.64) IKBKEPLK1PLK3FGFR1SRC
SCHEMBL4032684 0.76 FGFR1 (0.43) IKBKEPLK1FGFR1SRC
SCHEMBL4034367 0.76 PLK1 (0.44) IKBKEPLK1FGFR1SRC
SCHEMBL4040575 0.76 IKBKE (0.40) IKBKEPLK1FGFR1SRCIRAK4
SCHEMBL4036831 0.75 PLK1 (0.46) IKBKEPLK1FGFR1SRCKIT
SCHEMBL4034530 0.74 IKBKE (0.41) IKBKEPLK1PLK3FGFR1SRC

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
EP-1720864-B1 BENZIMIDAZOL SUBSTITUTED THIOPHENE DERIVATIVES WITH ACTIVITY ON IKK3 GLAXO GROUP LTD (GB) 2009-05-06 EP claimed