SCHEMBL6004231

SCHEMBL6004231

COc1ccc2c(Oc3cc(C)c(C)nc3-c3ccccn3)ccnc2c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 10/20 0.59
MET P08581 4/20 0.46
KDR P35968 2/20 0.45
AURKA O14965 1/20 0.45
TEK Q02763 1/20 0.45
AURKB Q96GD4 1/20 0.45
CYP3A4 P08684 1/20 0.42
PRKACG P22612 1/20 0.42
IGF1R P08069 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
PDGFRA P16234 1/20 0.41

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
SCHEMBL6004185 0.92 TGFBR1 (0.59) TGFBR1KDM4ENPC1
SCHEMBL6004931 0.87 TGFBR1 (0.48) TGFBR1METKDRCYP3A4PRKACG
SCHEMBL6005388 0.87 TGFBR1 (0.48) TGFBR1METKDM4ENPC1
SCHEMBL6004802 0.87 TGFBR1 (0.48) TGFBR1METAURKBKDM4ENPC1
SCHEMBL3898480 0.87 TGFBR1 (0.56) TGFBR1PDGFRA
SCHEMBL6004307 0.87 TGFBR1 (0.52) TGFBR1KDM4ENPC1
SCHEMBL6004942 0.86 TGFBR1 (0.55) TGFBR1KDM4ENPC1
SCHEMBL6004842 0.86 TGFBR1 (0.48) TGFBR1KDM4ENPC1
SCHEMBL6004261 0.86 TGFBR1 (0.48) TGFBR1KDM4ENPC1
SCHEMBL6002846 0.86 TGFBR1 (0.48) TGFBR1KDM4ENPC1

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