SCHEMBL6004287

SCHEMBL6004287

Cc1cc(Oc2ccnc3ccc(-c4csc5ccccc45)cc23)c(-c2ccccn2)nc1C

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 13/20 0.41
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
ERN1 O75460 2/20 0.34
PDE10A Q9Y233 1/20 0.33
ACVR1 Q04771 1/20 0.33

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
SCHEMBL6002953 0.93 TGFBR1 (0.41) TGFBR1KDM4ENPC1PDE10A
SCHEMBL6005291 0.86 TGFBR1 (0.48) TGFBR1KDM4ENPC1
SCHEMBL6005267 0.84 TGFBR1 (0.46) TGFBR1KDM4ENPC1
SCHEMBL6002943 0.84 TGFBR1 (0.47) TGFBR1KDM4ENPC1
SCHEMBL6004154 0.84 TGFBR1 (0.47) TGFBR1KDM4ENPC1
SCHEMBL6002945 0.83 TGFBR1 (0.44) TGFBR1KDM4ENPC1
SCHEMBL6003004 0.83 TGFBR1 (0.46) TGFBR1KDM4ENPC1
SCHEMBL6004186 0.83 TGFBR1 (0.44) TGFBR1KDM4ENPC1
SCHEMBL6002921 0.81 TGFBR1 (0.44) TGFBR1KDM4ENPC1
SCHEMBL6004307 0.81 TGFBR1 (0.52) 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