SCHEMBL6002846

SCHEMBL6002846

Cc1cc(Oc2ccnc3cc(Br)ccc23)c(-c2ccccn2)nc1C

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 13/20 0.48
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
EGFR P00533 1/20 0.38
ALK Q9UM73 1/20 0.37
SRC P12931 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
GAK O14976 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
SCHEMBL6004264 0.91 TGFBR1 (0.48) TGFBR1KDM4ENPC1EGFRSRC
SCHEMBL6004802 0.88 TGFBR1 (0.48) TGFBR1KDM4ENPC1SRC
SCHEMBL6004307 0.88 TGFBR1 (0.52) TGFBR1KDM4ENPC1
SCHEMBL6004261 0.87 TGFBR1 (0.48) TGFBR1KDM4ENPC1SRC
SCHEMBL6004842 0.87 TGFBR1 (0.48) TGFBR1KDM4ENPC1
SCHEMBL6004134 0.86 KDM4E (0.52) TGFBR1KDM4ENPC1SRC
SCHEMBL6004231 0.86 TGFBR1 (0.59) TGFBR1KDM4ENPC1
SCHEMBL6005332 0.86 TGFBR1 (0.47) TGFBR1KDM4ENPC1ALKSRC
SCHEMBL6002897 0.85 TGFBR1 (0.46) TGFBR1KDM4ENPC1ALKSRC
SCHEMBL6004676 0.84 TGFBR1 (0.46) TGFBR1KDM4ENPC1ALK

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