SCHEMBL6004140

SCHEMBL6004140

CCc1ccc(Oc2ccnc3ccc(OCCOC(=O)C(C)(C)C)cc23)c(-c2ncccn2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 1/20 0.35
AXL P30530 1/20 0.34
FGFR2 P21802 1/20 0.34
KDR P35968 7/20 0.33
AURKA O14965 6/20 0.33
TEK Q02763 6/20 0.33
LCK P06239 5/20 0.33
MET P08581 5/20 0.33
BTK Q06187 5/20 0.33
EGFR P00533 4/20 0.33
AURKB Q96GD4 2/20 0.33
ERBB2 P04626 1/20 0.33
TEC P42680 1/20 0.33
TXK P42681 1/20 0.33
BLK P51451 1/20 0.33
BMX P51813 1/20 0.33
JAK3 P52333 1/20 0.33
ERBB4 Q15303 1/20 0.33
LYN P07948 1/20 0.33
FLT1 P17948 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
SCHEMBL6004910 0.93 DDR2 (0.34) DDR2AXLFGFR2KDRAURKA
SCHEMBL6003010 0.90 PDE3B (0.41) DDR2KDRAURKATEKLCK
SCHEMBL6004067 0.85 SLC22A12 (0.38) DDR2AXLKDRAURKATEK
SCHEMBL6004228 0.84 AXL (0.34) DDR2AXLKDRAURKATEK
SCHEMBL6005256 0.81 PDGFRB (0.36) DDR2FGFR2KDRAURKATEK
SCHEMBL6004984 0.81 PDE3B (0.39) DDR2AXLMETBTKEGFR
SCHEMBL6004126 0.80 ROCK2 (0.36) DDR2AXLKDRAURKATEK
SCHEMBL6004179 0.79 CYP3A4 (0.44)
SCHEMBL6004233 0.78 SRC (0.34) BTKEGFRERBB2TECTXK
SCHEMBL6004207 0.76 CYP1A2 (0.37) DDR2AXLKDRMETBTK

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-1724268-A1 COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION CONTAINING SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-22 EP disclosed