SCHEMBL6002945

SCHEMBL6002945

Cc1cc(Oc2ccnc3ccc(-c4ccccc4N)cc23)c(-c2ccccn2)nc1C

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 18/20 0.44
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
DHFR P00374 1/20 0.36

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
SCHEMBL6004875 0.92 TGFBR1 (0.44) TGFBR1KDM4ENPC1DHFR
SCHEMBL6005291 0.89 TGFBR1 (0.48) TGFBR1KDM4ENPC1
SCHEMBL6002943 0.87 TGFBR1 (0.47) TGFBR1KDM4ENPC1
SCHEMBL6004154 0.87 TGFBR1 (0.47) TGFBR1KDM4ENPC1
SCHEMBL6004938 0.86 TGFBR1 (0.44) TGFBR1KDM4ENPC1
SCHEMBL6003004 0.86 TGFBR1 (0.46) TGFBR1KDM4ENPC1
SCHEMBL6005267 0.85 TGFBR1 (0.46) TGFBR1KDM4ENPC1
SCHEMBL6005329 0.84 TGFBR1 (0.45) TGFBR1KDM4ENPC1
SCHEMBL6002965 0.84 TGFBR1 (0.49) TGFBR1KDM4ENPC1
SCHEMBL6004287 0.83 TGFBR1 (0.41) TGFBR1KDM4ENPC1

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