SCHEMBL6004233

SCHEMBL6004233

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 4/20 0.34
TGFBR1 P36897 4/20 0.34
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
KMT2A Q03164 1/20 0.33
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
ESRRB O95718 2/20 0.33
ESRRA P11474 2/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
EGFR P00533 2/20 0.33
BTK Q06187 2/20 0.33
TRPV1 Q8NER1 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ERBB2 P04626 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
SCHEMBL6004082 0.88 CBFB (0.37) SRCTGFBR1ALDH1A1MEN1CASP1
SCHEMBL6004146 0.85 SRC (0.38) SRCTGFBR1ALDH1A1MEN1CASP1
SCHEMBL6005293 0.85 THRB (0.36) TGFBR1
SCHEMBL6004067 0.84 SLC22A12 (0.38) PDGFRBPDGFRAEGFRBTKERBB2
SCHEMBL6005256 0.84 PDGFRB (0.36) PDGFRBPDGFRAEGFRBTKERBB2
SCHEMBL6004179 0.83 CYP3A4 (0.44) ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6005275 0.83 PDGFRB (0.52) SRCTGFBR1PDGFRBPDGFRAEGFR
SCHEMBL6004228 0.82 AXL (0.34) ALDH1A1CASP1CASP7PDGFRBPDGFRA
SCHEMBL6004288 0.81 KDR (0.41) SRCTGFBR1
SCHEMBL6003010 0.80 PDE3B (0.41) SRCTGFBR1MEN1KMT2AEGFR

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