SCHEMBL23217940

SCHEMBL23217940

O=C(O)NCCn1cc(-c2cc(-c3c(-c4cccc(C(F)F)n4)nn4c3CCC4)ccc2F)cn1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 18/20 0.48
THRB P10828 8/20 0.48
MAPK14 Q16539 2/20 0.41
TGFBR2 P37173 4/20 0.40
MAP3K20 Q9NYL2 4/20 0.40
CYP2D6 P10635 1/20 0.38

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
SCHEMBL23217993 0.90 TGFBR1 (0.50) TGFBR1THRBMAPK14TGFBR2MAP3K20
SCHEMBL24312339 0.80 TGFBR1 (0.66) TGFBR1THRBMAPK14TGFBR2MAP3K20
SCHEMBL24312342 0.77 TGFBR1 (0.60) TGFBR1THRBMAPK14TGFBR2MAP3K20
SCHEMBL23217945 0.77 TGFBR1 (0.47) TGFBR1THRBMAPK14TGFBR2MAP3K20
SCHEMBL24312341 0.75 THRB (0.57) TGFBR1THRBMAPK14TGFBR2MAP3K20
SCHEMBL23217956 0.72 TGFBR1 (0.47) TGFBR1THRBMAPK14TGFBR2MAP3K20
SCHEMBL23218013 0.68 PDK2 (0.41) TGFBR1
SCHEMBL414544 0.66 TGFBR1 (1.00) TGFBR1THRBMAPK14TGFBR2MAP3K20
SCHEMBL23217901 0.66 TGFBR1 (0.54) TGFBR1THRBMAPK14TGFBR2MAP3K20
SCHEMBL412655 0.64 TGFBR1 (0.82) TGFBR1THRBMAPK14TGFBR2MAP3K20

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
WO-2021072330-A1 GALNAC-TGFBR1 INHIBITOR CONJUGATES FOR THE TREATMENT OF LIVER DISEASES SILVERBACK THERAPEUTICS, INC. (US) 2021-04-15 WO disclosed