SCHEMBL6004228

SCHEMBL6004228

CCc1ccc(Oc2ccnc3ccc(OCCN)cc23)c(-c2ncccn2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
DDR2 Q16832 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
TEC P42680 1/20 0.32
TXK P42681 1/20 0.32
BLK P51451 1/20 0.32
BMX P51813 1/20 0.32
JAK3 P52333 1/20 0.32
BTK Q06187 1/20 0.32
ERBB4 Q15303 1/20 0.32
KDR P35968 4/20 0.32
MET P08581 3/20 0.32
AURKA O14965 3/20 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
SCHEMBL6004067 0.90 SLC22A12 (0.38) AXLPDGFRBPDGFRADDR2EGFR
SCHEMBL6005256 0.88 PDGFRB (0.36) PDGFRBPDGFRADDR2EGFRERBB2
SCHEMBL6003010 0.86 PDE3B (0.41) DDR2EGFRERBB2TECTXK
SCHEMBL6004179 0.85 CYP3A4 (0.44) ALDH1A1HSD17B10
SCHEMBL6004126 0.84 ROCK2 (0.36) AXLDDR2ALDH1A1EGFRERBB2
SCHEMBL6004140 0.84 DDR2 (0.35) AXLDDR2EGFRERBB2TEC
SCHEMBL6004233 0.82 SRC (0.34) PDGFRBPDGFRAALDH1A1CASP1CASP7
SCHEMBL6004910 0.82 DDR2 (0.34) AXLDDR2EGFRERBB2TEC
SCHEMBL6005293 0.81 THRB (0.36) HTR1AADRA1DADRA1AADRA1B
SCHEMBL6004207 0.80 CYP1A2 (0.37) AXLDDR2ALDH1A1EGFRBTK

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