SCHEMBL6004725

SCHEMBL6004725

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 12/20 0.48
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 1/20 0.42
RET P07949 1/20 0.41
RIPK1 Q13546 1/20 0.41
RIPK3 Q9Y572 1/20 0.41
CBFB Q13951 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SRC P12931 2/20 0.38
RIPK2 O43353 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
SCHEMBL6005329 0.92 TGFBR1 (0.45) TGFBR1KDM4ENPC1RETRIPK1
SCHEMBL6004261 0.91 TGFBR1 (0.48) TGFBR1KDM4ENPC1RETRIPK1
SCHEMBL6004076 0.90 TGFBR1 (0.46) TGFBR1KDM4ENPC1RETRIPK1
SCHEMBL6002965 0.89 TGFBR1 (0.49) TGFBR1KDM4ENPC1CBFBALDH1A1
SCHEMBL6005291 0.88 TGFBR1 (0.48) TGFBR1KDM4ENPC1RETRIPK1
SCHEMBL6005361 0.88 TGFBR1 (0.38) TGFBR1KDM4ERETALDH1A1HPGD
SCHEMBL6004307 0.88 TGFBR1 (0.52) TGFBR1KDM4ENPC1ALDH1A1
SCHEMBL6004264 0.87 TGFBR1 (0.48) TGFBR1KDM4ENPC1ALDH1A1SRC
SCHEMBL6004226 0.87 TGFBR1 (0.48) TGFBR1KDM4ENPC1CBFBALDH1A1
SCHEMBL6004657 0.87 TGFBR1 (0.57) TGFBR1KDM4ENPC1CBFBSRC

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