SCHEMBL6005366

SCHEMBL6005366

Cc1ccc(Oc2ccnc3ccc(OCC(C)(C)C)cc23)c(-c2ncccn2)n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
FGFR2 P21802 3/20 0.35
DDR2 Q16832 1/20 0.34
AXL P30530 2/20 0.34
SYK P43405 2/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AURKB Q96GD4 1/20 0.33
INCENP Q9NQS7 1/20 0.33
TGFBR1 P36897 2/20 0.32
SRC P12931 1/20 0.32
MET P08581 1/20 0.32
KDR P35968 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
SCHEMBL6005281 0.91 DDR2 (0.34) PDGFRBPDGFRAFGFR2DDR2AXL
SCHEMBL6004262 0.85 ALDH1A1 (0.36) PDGFRBPDGFRADDR2AXLSYK
SCHEMBL6004922 0.85 SLC22A12 (0.39) PDGFRBPDGFRADDR2AXLSYK
SCHEMBL6004162 0.85 ALDH1A1 (0.36) PDGFRBPDGFRAFGFR2DDR2AXL
SCHEMBL6005251 0.84 PDE2A (0.39) PDGFRBPDGFRADDR2AXLAURKB
SCHEMBL6004285 0.84 CYP3A4 (0.46) SYKAURKBINCENP
SCHEMBL6004932 0.82 IRAK4 (0.39)
SCHEMBL6004333 0.82 PDGFRA (0.42) PDGFRBPDGFRAAXLTGFBR1
SCHEMBL6004251 0.81 TGFBR1 (0.39) PDGFRBPDGFRAAXLTGFBR1
SCHEMBL6004146 0.80 SRC (0.38) PDGFRBPDGFRASYKAURKBINCENP

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