SCHEMBL4601490

SCHEMBL4601490

C=CC(=O)Oc1c(OCCOC)cccc1Oc1ncc(NC(=O)OC(C)(C)C)cc1C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.42
ITK Q08881 7/20 0.39
RORC P51449 1/20 0.36
SYK P43405 1/20 0.35
BTK Q06187 3/20 0.35
NAMPT P43490 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
JAK2 O60674 1/20 0.34
LYN P07948 1/20 0.34
TEC P42680 1/20 0.34
TXK P42681 1/20 0.34
BMX P51813 1/20 0.34
JAK3 P52333 1/20 0.34
CD69 Q07108 1/20 0.34

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 0.82 EGFR (0.45) EGFRITKBTKJAK2LYN
SCHEMBL4602178 0.82 EGFR (0.43) EGFRITKBTKJAK2LYN
SCHEMBL4601414 0.75 EGFR (0.44) EGFRITK
SCHEMBL30843868 0.74 NAMPT (0.40) EGFRRORCSYKNAMPT
SCHEMBL29157693 0.74 NAMPT (0.40) EGFRRORCSYKNAMPT
SCHEMBL3196875 0.73 PPARG (0.43) EGFRITK
SCHEMBL4600789 0.73 HPGD (0.48)
SCHEMBL14923668 0.70 SYK (0.42) EGFRITKRORCSYKNAMPT
SCHEMBL4614803 0.69 EGFR (0.42) EGFRITK
SCHEMBL4600628 0.69 EGFR (0.47) EGFRITKBTKJAK2LYN

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