SCHEMBL6002971

SCHEMBL6002971

COc1cc2nccc(Oc3cc(C)c(C)nc3-c3ccccn3)c2cc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.49
TGFBR1 P36897 8/20 0.49
SRC P12931 4/20 0.48
MET P08581 3/20 0.46
KDR P35968 1/20 0.46
MST1R Q04912 1/20 0.46
FGFR2 P21802 1/20 0.43
PDPK1 O15530 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
SCHEMBL3893031 1.00 ATM (0.49) ATMTGFBR1SRCMETKDR
SCHEMBL3898480 0.91 TGFBR1 (0.56) TGFBR1SRCFGFR2
SCHEMBL3895724 0.91 MET (0.45) ATMTGFBR1SRCMETKDR
SCHEMBL3906074 0.90 SRC (0.47) TGFBR1SRCMETKDRMST1R
SCHEMBL3897068 0.90 MET (0.50) TGFBR1SRCMETKDRMST1R
SCHEMBL3903240 0.87 TGFBR1 (0.49) TGFBR1SRCMETKDRMST1R
SCHEMBL6004761 0.87 TGFBR1 (0.49) TGFBR1SRCMETKDRMST1R
SCHEMBL6004942 0.86 TGFBR1 (0.55) TGFBR1SRC
SCHEMBL3897371 0.86 TGFBR1 (0.48) TGFBR1SRC
SCHEMBL3907804 0.85 MET (0.45) TGFBR1SRCMETKDRMST1R

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