SCHEMBL6004307

SCHEMBL6004307

Cc1cc(Oc2ccnc3ccccc23)c(-c2ccccn2)nc1C

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 11/20 0.52
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RECQL P46063 1/20 0.39
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
BRAF P15056 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
SCHEMBL6002965 0.90 TGFBR1 (0.49) TGFBR1KDM4ENPC1MAPTL3MBTL1
SCHEMBL6004134 0.89 KDM4E (0.52) TGFBR1KDM4ENPC1
SCHEMBL6004244 0.89 TGFBR1 (0.48) TGFBR1KDM4ENPC1
SCHEMBL6005291 0.89 TGFBR1 (0.48) TGFBR1KDM4ENPC1MAPTNPSR1
SCHEMBL6004802 0.89 TGFBR1 (0.48) TGFBR1KDM4ENPC1
SCHEMBL6004204 0.88 TGFBR1 (0.39) TGFBR1BRAF
SCHEMBL6004261 0.88 TGFBR1 (0.48) TGFBR1KDM4ENPC1
SCHEMBL6004842 0.88 TGFBR1 (0.48) TGFBR1KDM4ENPC1LMNAALDH1A1
SCHEMBL6002846 0.88 TGFBR1 (0.48) TGFBR1KDM4ENPC1
SCHEMBL6004657 0.88 TGFBR1 (0.57) TGFBR1KDM4ENPC1L3MBTL1LMNA

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