SCHEMBL6005353

SCHEMBL6005353

FC(F)(F)c1ccc2nccc(Oc3cc4cccnc4nc3-c3ccccc3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
TOP1 P11387 2/20 0.39
DHODH Q02127 1/20 0.39
BRAF P15056 2/20 0.39
KDR P35968 2/20 0.39
MAPK14 Q16539 1/20 0.39
TNNI3K Q59H18 1/20 0.39
GAK O14976 3/20 0.39
RIPK2 O43353 2/20 0.39
NLK Q9UBE8 2/20 0.39
EPHB6 O15197 1/20 0.39
ABL1 P00519 1/20 0.39
LCK P06239 1/20 0.39
EPHA1 P21709 1/20 0.39
EPHA8 P29322 1/20 0.39
TXK P42681 1/20 0.39
COQ8A Q8NI60 1/20 0.39
STK16 O75716 1/20 0.38
EGFR P00533 1/20 0.38

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
SCHEMBL6005302 0.86 DHODH (0.39) CCNCCDK8TOP1DHODHMAPK14
SCHEMBL6004276 0.84 LMNA (0.39) TOP1DHODHBRAFKDR
SCHEMBL6004795 0.83 FGFR2 (0.36) TOP1DHODHKDRMAPK14MET
SCHEMBL6005261 0.82 KDM4E (0.49) TOP1KDRGAKRIPK2NLK
SCHEMBL6002787 0.81 CCNC (0.39) CCNCCDK8DHODHBRAFMAPK14
SCHEMBL6004803 0.81 FGFR2 (0.36) DHODHKDR
SCHEMBL3895779 0.80 FGFR2 (0.53) KDREGFR
SCHEMBL6004093 0.78 MET (0.45) KDRMET
SCHEMBL6004849 0.78 MET (0.45) KDRMET
SCHEMBL6004327 0.78 TOP1 (0.42) TOP1DHODHMAPK14

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