SCHEMBL6003010

SCHEMBL6003010

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.41
PDE3A Q14432 3/20 0.41
P2RY12 Q9H244 3/20 0.41
DDR2 Q16832 1/20 0.38
APP P05067 1/20 0.37
KDR P35968 6/20 0.35
AURKA O14965 5/20 0.35
TEK Q02763 5/20 0.35
LCK P06239 4/20 0.35
MET P08581 3/20 0.35
AURKB Q96GD4 2/20 0.35
LYN P07948 1/20 0.35
FLT1 P17948 1/20 0.35
BTK Q06187 4/20 0.34
EGFR P00533 3/20 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

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
SCHEMBL6004984 0.90 PDE3B (0.39) PDE3BPDE3AP2RY12DDR2APP
SCHEMBL6004140 0.90 DDR2 (0.35) DDR2KDRAURKATEKLCK
SCHEMBL6004910 0.89 DDR2 (0.34) DDR2KDRAURKATEKLCK
SCHEMBL6004067 0.88 SLC22A12 (0.38) PDE3BPDE3AP2RY12DDR2KDR
SCHEMBL6004228 0.86 AXL (0.34) DDR2KDRAURKATEKLCK
SCHEMBL6005256 0.84 PDGFRB (0.36) DDR2KDRAURKATEKLCK
SCHEMBL6004126 0.82 ROCK2 (0.36) DDR2KDRAURKATEKLCK
SCHEMBL6004179 0.81 CYP3A4 (0.44)
SCHEMBL6004233 0.80 SRC (0.34) BTKEGFRERBB2TECTXK
SCHEMBL6004207 0.78 CYP1A2 (0.37) DDR2KDRMETBTKEGFR

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