SCHEMBL6004264

SCHEMBL6004264

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

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 13/20 0.48
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 1/20 0.45
EGFR P00533 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
SRC P12931 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
SCHEMBL6002846 0.91 TGFBR1 (0.48) TGFBR1KDM4ENPC1EGFRSRC
SCHEMBL6002965 0.89 TGFBR1 (0.49) TGFBR1KDM4ENPC1NPSR1ALDH1A1
SCHEMBL6005291 0.88 TGFBR1 (0.48) TGFBR1KDM4ENPC1NPSR1ALDH1A1
SCHEMBL6004307 0.88 TGFBR1 (0.52) TGFBR1KDM4ENPC1NPSR1ALDH1A1
SCHEMBL6004657 0.87 TGFBR1 (0.57) TGFBR1KDM4ENPC1SRC
SCHEMBL6004725 0.87 TGFBR1 (0.48) TGFBR1KDM4ENPC1ALDH1A1SRC
SCHEMBL6004226 0.87 TGFBR1 (0.48) TGFBR1KDM4ENPC1MEN1ALDH1A1
SCHEMBL6004134 0.86 KDM4E (0.52) TGFBR1KDM4ENPC1SRC
SCHEMBL6002943 0.86 TGFBR1 (0.47) TGFBR1KDM4ENPC1SRC
SCHEMBL6004185 0.86 TGFBR1 (0.59) TGFBR1KDM4ENPC1NPSR1MEN1

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