SCHEMBL6004076

SCHEMBL6004076

Cc1cc(Oc2ccnc3ccc(-c4cccc(O)c4)cc23)c(-c2ccccn2)nc1C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 10/20 0.46
RET P07949 3/20 0.39
RIPK1 Q13546 1/20 0.39
RIPK3 Q9Y572 1/20 0.39
RAF1 P04049 3/20 0.38
BRAF P15056 2/20 0.38
MAP4K4 O95819 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RIPK2 O43353 1/20 0.37
KDR P35968 1/20 0.37
MAPK14 Q16539 1/20 0.37

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
SCHEMBL6004149 0.92 TGFBR1 (0.46) TGFBR1RETRIPK1RIPK3RAF1
SCHEMBL6005329 0.92 TGFBR1 (0.45) TGFBR1RETRIPK1RIPK3KDM4E
SCHEMBL6002943 0.91 TGFBR1 (0.47) TGFBR1KDM4ENPC1
SCHEMBL6004725 0.90 TGFBR1 (0.48) TGFBR1RETRIPK1RIPK3KDM4E
SCHEMBL6005291 0.89 TGFBR1 (0.48) TGFBR1RETRIPK1RIPK3KDM4E
SCHEMBL6004938 0.89 TGFBR1 (0.44) TGFBR1MAP4K4KDM4ENPC1
SCHEMBL6003004 0.88 TGFBR1 (0.46) TGFBR1KDM4ENPC1
SCHEMBL6005267 0.87 TGFBR1 (0.46) TGFBR1MAP4K4KDM4ENPC1
SCHEMBL6004154 0.87 TGFBR1 (0.47) TGFBR1KDM4ENPC1
SCHEMBL6004844 0.86 TGFBR1 (0.44) TGFBR1RETRAF1MAP4K4KDM4E

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