SCHEMBL6005302

SCHEMBL6005302

Fc1ccc2nccc(Oc3cc4cccnc4nc3-c3ccccc3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 7/20 0.39
MAPK14 Q16539 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
TACR3 P29371 1/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
TOP1 P11387 1/20 0.36
TRPA1 O75762 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
FGFR2 P21802 1/20 0.36
SCN9A Q15858 1/20 0.36

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
SCHEMBL6004795 0.88 FGFR2 (0.36) DHODHMAPK14TOP1FGFR2
SCHEMBL6004276 0.87 LMNA (0.39) DHODHALDH1A1TOP1
SCHEMBL6005353 0.86 CCNC (0.40) DHODHMAPK14CCNCCDK8TOP1
SCHEMBL6005261 0.85 KDM4E (0.49) KDM4EMEN1ALDH1A1KMT2ATOP1
SCHEMBL6002787 0.83 CCNC (0.39) DHODHMAPK14CCNCCDK8
SCHEMBL6004803 0.83 FGFR2 (0.36) DHODHFGFR2
SCHEMBL6004849 0.83 MET (0.45) FGFR2
SCHEMBL6004093 0.83 MET (0.45) FGFR2
SCHEMBL3895779 0.82 FGFR2 (0.53) FGFR2
SCHEMBL6004223 0.82 PDGFRA (0.48) FGFR2

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