SCHEMBL6004082

SCHEMBL6004082

CCc1ccc(Oc2ccnc3ccc(O)cc23)c(-c2ccccn2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 1/20 0.37
RET P07949 1/20 0.35
RIPK1 Q13546 1/20 0.35
RIPK3 Q9Y572 1/20 0.35
KDM4E B2RXH2 3/20 0.35
NPC1 O15118 2/20 0.35
TGFBR1 P36897 6/20 0.35
SRC P12931 3/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MET P08581 1/20 0.34

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
SCHEMBL6004233 0.88 SRC (0.34) KDM4ETGFBR1SRCHPGDALDH1A1
SCHEMBL6005330 0.86 TGFBR1 (0.46) CBFBRETRIPK1RIPK3KDM4E
SCHEMBL6004710 0.85 CYP3A4 (0.42) CBFBKDM4ENPC1HPGDRAB9A
SCHEMBL6004207 0.85 CYP1A2 (0.37) CBFBKDM4ENPC1TGFBR1MAPT
SCHEMBL6004857 0.84 SRC (0.37) KDM4ETGFBR1SRCMAPTHPGD
SCHEMBL6002914 0.84 PDGFRB (0.49) TGFBR1SRCMETKDRMST1R
SCHEMBL6005438 0.82 MET (0.35) CBFBKDM4ENPC1TGFBR1MAPT
SCHEMBL6004984 0.81 PDE3B (0.39) CBFBKDM4ENPC1TGFBR1SRC
SCHEMBL6004725 0.81 TGFBR1 (0.48) CBFBRETRIPK1RIPK3KDM4E
SCHEMBL6005260 0.81 MET (0.50) 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