SCHEMBL6005256

SCHEMBL6005256

[CH2]COc1ccc2nccc(Oc3ccc(CC)nc3-c3ncccn3)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
BTK Q06187 5/20 0.34
EGFR P00533 4/20 0.34
ERBB2 P04626 1/20 0.34
TEC P42680 1/20 0.34
TXK P42681 1/20 0.34
BLK P51451 1/20 0.34
BMX P51813 1/20 0.34
JAK3 P52333 1/20 0.34
ERBB4 Q15303 1/20 0.34
DDR2 Q16832 1/20 0.34
AURKA O14965 2/20 0.33
LCK P06239 2/20 0.33
KDR P35968 2/20 0.33
TEK Q02763 2/20 0.33
HTR1A P08908 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32

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
SCHEMBL6004228 0.88 AXL (0.34) PDGFRBPDGFRABTKEGFRERBB2
SCHEMBL6004067 0.88 SLC22A12 (0.38) PDGFRBPDGFRABTKEGFRERBB2
SCHEMBL6004179 0.87 CYP3A4 (0.44)
SCHEMBL6004233 0.84 SRC (0.34) PDGFRBPDGFRABTKEGFRERBB2
SCHEMBL6003010 0.84 PDE3B (0.41) BTKEGFRERBB2TECTXK
SCHEMBL6004126 0.82 ROCK2 (0.36) BTKEGFRERBB2TECTXK
SCHEMBL6005293 0.82 THRB (0.36) HTR1AADRA1DADRA1AADRA1B
SCHEMBL6004140 0.81 DDR2 (0.35) BTKEGFRERBB2TECTXK
SCHEMBL6005275 0.81 PDGFRB (0.52) PDGFRBPDGFRAEGFRKDRMET
SCHEMBL6004910 0.80 DDR2 (0.34) BTKEGFRERBB2TECTXK

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