SCHEMBL6005329

SCHEMBL6005329

Cc1cc(Oc2ccnc3ccc(-c4ccc(O)cc4)cc23)c(-c2ccccn2)nc1C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 12/20 0.45
RET P07949 2/20 0.40
RIPK1 Q13546 1/20 0.40
RIPK3 Q9Y572 1/20 0.40
MAPKAPK2 P49137 2/20 0.40
NPC1 O15118 2/20 0.39
KDM4E B2RXH2 1/20 0.39
RAB9A P51151 1/20 0.39
RIPK2 O43353 1/20 0.36
KDR P35968 1/20 0.36
MAPK14 Q16539 1/20 0.36
PKMYT1 Q99640 1/20 0.36
SRC P12931 2/20 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
SCHEMBL6002943 0.93 TGFBR1 (0.47) TGFBR1MAPKAPK2NPC1KDM4ESRC
SCHEMBL6004076 0.92 TGFBR1 (0.46) TGFBR1RETRIPK1RIPK3NPC1
SCHEMBL6004158 0.92 RET (0.47) TGFBR1RETRIPK1RIPK3NPC1
SCHEMBL6003004 0.92 TGFBR1 (0.46) TGFBR1MAPKAPK2NPC1KDM4ERAB9A
SCHEMBL6004725 0.92 TGFBR1 (0.48) TGFBR1RETRIPK1RIPK3NPC1
SCHEMBL6005267 0.91 TGFBR1 (0.46) TGFBR1NPC1KDM4ERAB9ASRC
SCHEMBL6005291 0.91 TGFBR1 (0.48) TGFBR1RETRIPK1RIPK3NPC1
SCHEMBL6004154 0.89 TGFBR1 (0.47) TGFBR1NPC1KDM4ESRC
SCHEMBL6004309 0.86 TGFBR1 (0.44) TGFBR1NPC1KDM4E
SCHEMBL6004938 0.86 TGFBR1 (0.44) TGFBR1MAPKAPK2NPC1KDM4E

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