SCHEMBL6002928

SCHEMBL6002928

COc1ccc2ncnc(Oc3cc(C)c(C)nc3-c3ccc(C)cn3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.40
KDR P35968 5/20 0.39
TRPA1 O75762 1/20 0.39
BRAF P15056 2/20 0.39
RAF1 P04049 1/20 0.39
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
CSF1R P07333 2/20 0.37
PDGFRB P09619 1/20 0.37
FLT4 P35916 1/20 0.37
FLT3 P36888 1/20 0.37
MAPT P10636 1/20 0.37
GRM1 Q13255 1/20 0.37
EGFR P00533 6/20 0.36
LCK P06239 2/20 0.36
MAPK14 Q16539 1/20 0.36
TNNI3K Q59H18 1/20 0.36
PDGFRA P16234 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
SCHEMBL3895797 0.87 KDR (0.47) KDRTRPA1CSF1RPDGFRBFLT4
SCHEMBL6004756 0.85 TGFBR1 (0.56) TGFBR1BRAFRAF1CSF1RPDGFRB
SCHEMBL6005338 0.85 EGFR (0.40) TGFBR1KDRMAPTEGFR
SCHEMBL6004691 0.72 TGFBR1 (0.52) TGFBR1KDRTRPA1CSF1REGFR
SCHEMBL3895539 0.72 SRC (0.51) TGFBR1KDRPDGFRBPDGFRA
SCHEMBL3905940 0.72 TGFBR1 (0.40) TGFBR1BRAF
SCHEMBL6004185 0.72 TGFBR1 (0.59) TGFBR1MAPT
SCHEMBL6002915 0.72 TGFBR1 (0.45) TGFBR1CSF1RMAPTEGFRLCK
SCHEMBL6004166 0.72 TGFBR1 (0.45) TGFBR1KDRMAPTEGFR
SCHEMBL6002912 0.71 TGFBR1 (0.48) TGFBR1MAPTEGFR

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