SCHEMBL6004158

SCHEMBL6004158

Cc1cc(Oc2ccnc3cc(-c4ccc(O)cc4)ccc23)c(-c2ccccn2)nc1C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.47
RIPK1 Q13546 1/20 0.47
RIPK3 Q9Y572 1/20 0.47
TGFBR1 P36897 11/20 0.45
PKMYT1 Q99640 1/20 0.42
NPC1 O15118 2/20 0.39
KDM4E B2RXH2 1/20 0.39
RAB9A P51151 1/20 0.39
KCNH2 Q12809 1/20 0.37
ALK Q9UM73 1/20 0.37
MET P08581 1/20 0.37
TLR8 Q9NR97 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
SCHEMBL6005332 0.93 TGFBR1 (0.47) RETRIPK1RIPK3TGFBR1PKMYT1
SCHEMBL6004149 0.92 TGFBR1 (0.46) RETRIPK1RIPK3TGFBR1PKMYT1
SCHEMBL6005329 0.92 TGFBR1 (0.45) RETRIPK1RIPK3TGFBR1PKMYT1
SCHEMBL6002897 0.92 TGFBR1 (0.46) RETRIPK1RIPK3TGFBR1PKMYT1
SCHEMBL6004261 0.92 TGFBR1 (0.48) RETRIPK1RIPK3TGFBR1PKMYT1
SCHEMBL6004676 0.91 TGFBR1 (0.46) RETRIPK1RIPK3TGFBR1PKMYT1
SCHEMBL6004802 0.91 TGFBR1 (0.48) RETRIPK1RIPK3TGFBR1PKMYT1
SCHEMBL6004764 0.86 TGFBR1 (0.44) RETRIPK1RIPK3TGFBR1PKMYT1
SCHEMBL6002905 0.86 TGFBR1 (0.44) RETRIPK1RIPK3TGFBR1NPC1
SCHEMBL6004725 0.85 TGFBR1 (0.48) RETRIPK1RIPK3TGFBR1NPC1

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