SCHEMBL6005293

SCHEMBL6005293

CCc1ccc(Oc2ccnc3ccccc23)c(-c2ncccn2)n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.36
TGFBR1 P36897 1/20 0.36
MAPK14 Q16539 1/20 0.36
HTR1A P08908 2/20 0.35
ADRA1D P25100 2/20 0.35
ADRA1A P35348 2/20 0.35
ADRA1B P35368 2/20 0.35
BRAF P15056 1/20 0.35
APP P05067 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
AGTR1 P30556 1/20 0.34
AGTR2 P50052 1/20 0.34
FERMT2 Q96AC1 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
SCHEMBL6004233 0.85 SRC (0.34) TGFBR1
SCHEMBL6005275 0.83 PDGFRB (0.52) TGFBR1
SCHEMBL6005256 0.82 PDGFRB (0.36) HTR1AADRA1DADRA1AADRA1B
SCHEMBL6004179 0.82 CYP3A4 (0.44)
SCHEMBL6004228 0.81 AXL (0.34) HTR1AADRA1DADRA1AADRA1B
SCHEMBL6004067 0.81 SLC22A12 (0.38)
SCHEMBL6004897 0.80 MET (0.48)
SCHEMBL6003010 0.77 PDE3B (0.41) TGFBR1APP
SCHEMBL6005209 0.77 MET (0.41)
SCHEMBL6004288 0.77 KDR (0.41) TGFBR1

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