SCHEMBL4037644

SCHEMBL4037644

COc1cc2ncn(C3=CC(OCC4CCCCO4)C(=S)C(C#N)=C3)c2cc1OC

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 9/20 0.53
PLK1 P53350 7/20 0.46
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KMT2A Q03164 1/20 0.35
FGFR1 P11362 1/20 0.33
SRC P12931 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
EPHA2 P29317 1/20 0.32
KDR P35968 1/20 0.32
TBK1 Q9UHD2 1/20 0.31
PDE4A P27815 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
IRAK4 Q9NWZ3 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
SCHEMBL4037509 0.97 IKBKE (0.56) IKBKEPLK1HPGDSMN1; SMN2KMT2A
SCHEMBL4035585 0.80 IKBKE (0.55) IKBKEFGFR1SRCKDR
SCHEMBL4036831 0.78 PLK1 (0.46) IKBKEPLK1HPGDSMN1; SMN2FGFR1
SCHEMBL4040312 0.77 IKBKE (0.42) IKBKEPLK1FGFR1SRCTBK1
SCHEMBL4032684 0.77 FGFR1 (0.43) IKBKEPLK1FGFR1SRCTBK1
SCHEMBL4034367 0.77 PLK1 (0.44) IKBKEPLK1FGFR1SRCTBK1
SCHEMBL4032259 0.77 IKBKE (0.40) IKBKEPLK1FGFR1SRCTBK1
SCHEMBL4040575 0.77 IKBKE (0.40) IKBKEPLK1FGFR1SRCTBK1
SCHEMBL4037455 0.77 IKBKE (0.40) IKBKEPLK1FGFR1SRCTBK1
SCHEMBL4032649 0.76 IKBKE (0.39) IKBKEPLK1FGFR1SRCTBK1

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