SCHEMBL6005330

SCHEMBL6005330

Cc1ccc(Oc2ccnc3ccc(O)cc23)c(-c2ccccn2)n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 6/20 0.46
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 1/20 0.40
CBFB Q13951 1/20 0.39
RET P07949 1/20 0.39
RIPK1 Q13546 1/20 0.39
RIPK3 Q9Y572 1/20 0.39
SRC P12931 3/20 0.38
SYK P43405 2/20 0.38
AURKB Q96GD4 1/20 0.38
INCENP Q9NQS7 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RIPK2 O43353 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
FFAR1 O14842 1/20 0.35

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
SCHEMBL6004146 0.87 SRC (0.38) TGFBR1KDM4ERETSRCSYK
SCHEMBL6004082 0.86 CBFB (0.37) TGFBR1KDM4ENPC1CBFBRET
SCHEMBL6004725 0.86 TGFBR1 (0.48) TGFBR1KDM4ENPC1CBFBRET
SCHEMBL6004827 0.83 CYP3A4 (0.44) TGFBR1KDM4ENPC1SYKAURKB
SCHEMBL6005265 0.83 TGFBR1 (0.44) TGFBR1KDM4ENPC1CBFBSRC
SCHEMBL3906631 0.83 TGFBR1 (0.53) TGFBR1SRC
SCHEMBL6005329 0.78 TGFBR1 (0.45) TGFBR1KDM4ENPC1RETRIPK1
SCHEMBL6004261 0.77 TGFBR1 (0.48) TGFBR1KDM4ENPC1RETRIPK1
SCHEMBL6004076 0.77 TGFBR1 (0.46) TGFBR1KDM4ENPC1RETRIPK1
SCHEMBL6002965 0.74 TGFBR1 (0.49) TGFBR1KDM4ENPC1CBFBSRC

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