SCHEMBL6004767

SCHEMBL6004767

Cc1cc(Oc2ccnc3cc(C(N)=O)ccc23)c(-c2ccccn2)nc1C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 14/20 0.50
MET P08581 3/20 0.44
SRC P12931 3/20 0.41
AURKA O14965 2/20 0.41
KDR P35968 2/20 0.41
TEK Q02763 2/20 0.41
AURKB Q96GD4 2/20 0.41
CHEK2 O96017 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ABL1 P00519 1/20 0.38
LCK P06239 1/20 0.38
LYN P07948 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
SCHEMBL6004261 0.85 TGFBR1 (0.48) TGFBR1SRCKDM4ENPC1
SCHEMBL6002941 0.85 NPSR1 (0.46) TGFBR1METSRCAURKAKDR
SCHEMBL6004330 0.84 TGFBR1 (0.50) TGFBR1METSRCAURKAKDR
SCHEMBL6005494 0.84 KDR (0.55) TGFBR1METSRCAURKAKDR
SCHEMBL6004802 0.83 TGFBR1 (0.48) TGFBR1METSRCAURKBKDM4E
SCHEMBL6004307 0.83 TGFBR1 (0.52) TGFBR1NPSR1KDM4ENPC1
SCHEMBL6004842 0.83 TGFBR1 (0.48) TGFBR1KDM4ENPC1
SCHEMBL6002846 0.83 TGFBR1 (0.48) TGFBR1SRCKDM4ENPC1
SCHEMBL6004134 0.82 KDM4E (0.52) TGFBR1SRCKDM4ENPC1
SCHEMBL6004231 0.82 TGFBR1 (0.59) TGFBR1METAURKAKDRTEK

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