SCHEMBL4602178

SCHEMBL4602178

C=CC(=O)Oc1c(OCCOC)cccc1Oc1ncc(Br)cc1C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.43
ITK Q08881 4/20 0.35
KDM4E B2RXH2 4/20 0.34
KMT2A Q03164 2/20 0.34
KDR P35968 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
BTK Q06187 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.33
JAK2 O60674 1/20 0.33
LYN P07948 1/20 0.33
TEC P42680 1/20 0.33
TXK P42681 1/20 0.33
BMX P51813 1/20 0.33
JAK3 P52333 1/20 0.33
CD69 Q07108 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
SCHEMBL4602781 0.88 EGFR (0.45) EGFRITKKDM4EKMT2ABTK
SCHEMBL4602334 0.82 EGFR (0.37) EGFRITKKDM4EKMT2AAAK1
SCHEMBL4601490 0.82 EGFR (0.42) EGFRITKBTKJAK2LYN
SCHEMBL4601414 0.81 EGFR (0.44) EGFRITKKDM4EALDH1A1POLB
SCHEMBL4614803 0.79 EGFR (0.42) EGFRITKKDR
SCHEMBL4600789 0.77 HPGD (0.48) ALDH1A1LMNA
SCHEMBL4600628 0.75 EGFR (0.47) EGFRITKKDM4EKMT2ABTK
SCHEMBL4601601 0.74 EGFR (0.47) EGFRITKKDM4EKMT2AALDH1A1
SCHEMBL4600130 0.73 EGFR (0.47) EGFRITKKDM4EKMT2AMEN1
SCHEMBL4602183 0.73 EGFR (0.47) EGFRKMT2AMEN1

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-1912645-A2 THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2008-04-23 EP disclosed
WO-2007018314-A2 THERAPEUTIC AGENT FOR DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 WO disclosed