SCHEMBL6004736

SCHEMBL6004736

COc1ccc2c(Oc3cc4cccnc4nc3-c3ccccc3)ccnc2c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MET P08581 12/20 0.48
KDR P35968 4/20 0.48
AURKA O14965 3/20 0.48
TEK Q02763 3/20 0.48
AURKB Q96GD4 1/20 0.48
CYP3A4 P08684 3/20 0.46
PRKACG P22612 1/20 0.46
FGFR2 P21802 1/20 0.43
PDGFRA P16234 1/20 0.43

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
SCHEMBL6005261 0.92 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2KDRCYP3A4
SCHEMBL3895779 0.87 FGFR2 (0.53) KDRFGFR2PDGFRA
SCHEMBL6004276 0.85 LMNA (0.39) ALDH1A1SMN1; SMN2KDRCYP3A4PDGFRA
SCHEMBL6004765 0.84 FGFR2 (0.45) KDRFGFR2PDGFRA
SCHEMBL6004093 0.83 MET (0.45) METKDRFGFR2PDGFRA
SCHEMBL6005276 0.83 SRC (0.44) KDRFGFR2PDGFRA
SCHEMBL6002948 0.83 FGFR2 (0.47) KDRFGFR2PDGFRA
SCHEMBL6004812 0.83 FGFR2 (0.44) METKDRFGFR2PDGFRA
SCHEMBL6004321 0.83 FGFR2 (0.44) KDRFGFR2PDGFRA
SCHEMBL6004849 0.83 MET (0.45) METKDRFGFR2

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