SCHEMBL6002897

SCHEMBL6002897

Cc1ccc(-c2ccc3c(Oc4cc(C)c(C)nc4-c4ccccn4)ccnc3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 12/20 0.46
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
RIPK1 Q13546 2/20 0.39
RIPK3 Q9Y572 2/20 0.39
RET P07949 1/20 0.39
PKMYT1 Q99640 1/20 0.39
KCNH2 Q12809 1/20 0.38
ALK Q9UM73 1/20 0.38
SRC P12931 2/20 0.38
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL6005332 0.95 TGFBR1 (0.47) TGFBR1KDM4ENPC1RIPK1RIPK3
SCHEMBL6004676 0.93 TGFBR1 (0.46) TGFBR1KDM4ENPC1RIPK1RIPK3
SCHEMBL6004802 0.93 TGFBR1 (0.48) TGFBR1KDM4ENPC1RIPK1RIPK3
SCHEMBL6004158 0.92 RET (0.47) TGFBR1KDM4ENPC1RIPK1RIPK3
SCHEMBL6003004 0.92 TGFBR1 (0.46) TGFBR1KDM4ENPC1SRCMAPT
SCHEMBL6004764 0.88 TGFBR1 (0.44) TGFBR1KDM4ENPC1RIPK1RIPK3
SCHEMBL6004149 0.88 TGFBR1 (0.46) TGFBR1KDM4ENPC1RIPK1RIPK3
SCHEMBL6002905 0.88 TGFBR1 (0.44) TGFBR1KDM4ENPC1RIPK1RIPK3
SCHEMBL6005052 0.87 TGFBR1 (0.44) TGFBR1KDM4ENPC1RIPK1RIPK3
SCHEMBL6002943 0.86 TGFBR1 (0.47) TGFBR1KDM4ENPC1SRC

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