SCHEMBL6004790

SCHEMBL6004790

COc1cc2nccc(Oc3cc(C)c(C)nc3-c3ccccn3)c2cc1-c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 11/20 0.47
SRC P12931 4/20 0.42
MET P08581 1/20 0.41
PDPK1 O15530 1/20 0.39
PDE10A Q9Y233 1/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
FGFR2 P21802 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
KDR P35968 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
SCHEMBL6004293 0.86 TGFBR1 (0.52) TGFBR1SRCMET
SCHEMBL3898480 0.86 TGFBR1 (0.56) TGFBR1SRCPDGFRBPDGFRAFGFR2
SCHEMBL6004844 0.85 TGFBR1 (0.44) TGFBR1METPDGFRBPDGFRACYP3A4
SCHEMBL6002905 0.85 TGFBR1 (0.44) TGFBR1KDR
SCHEMBL3900624 0.84 TGFBR1 (0.52) TGFBR1SRCFGFR2
SCHEMBL6004719 0.84 TGFBR1 (0.52) TGFBR1SRC
SCHEMBL3897825 0.84 SRC (0.50) TGFBR1SRCPDPK1PDE10APDGFRB
SCHEMBL6004942 0.83 TGFBR1 (0.55) TGFBR1SRC
SCHEMBL3907471 0.82 SRC (0.44) TGFBR1SRCPDPK1PDE10APDGFRB
SCHEMBL6004708 0.82 TGFBR1 (0.52) TGFBR1SRCMETKDR

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