SCHEMBL23217993

SCHEMBL23217993

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

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 16/20 0.50
THRB P10828 10/20 0.50
MAP3K20 Q9NYL2 5/20 0.41
TGFBR2 P37173 4/20 0.41
MAPK14 Q16539 3/20 0.40
CYP2D6 P10635 1/20 0.39
FEN1 P39748 1/20 0.39

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
SCHEMBL23217940 0.90 TGFBR1 (0.48) TGFBR1THRBMAP3K20TGFBR2MAPK14
SCHEMBL24312339 0.89 TGFBR1 (0.66) TGFBR1THRBMAP3K20TGFBR2MAPK14
SCHEMBL24312342 0.87 TGFBR1 (0.60) TGFBR1THRBMAP3K20TGFBR2MAPK14
SCHEMBL24312341 0.85 THRB (0.57) TGFBR1THRBMAP3K20TGFBR2MAPK14
SCHEMBL23217956 0.71 TGFBR1 (0.47) TGFBR1THRBMAP3K20TGFBR2MAPK14
SCHEMBL414544 0.68 TGFBR1 (1.00) TGFBR1THRBMAP3K20TGFBR2MAPK14
SCHEMBL23217907 0.67 TGFBR1 (0.45) TGFBR1THRBMAP3K20TGFBR2MAPK14
SCHEMBL23217945 0.66 TGFBR1 (0.47) TGFBR1THRBMAP3K20TGFBR2MAPK14
SCHEMBL412655 0.66 TGFBR1 (0.82) TGFBR1THRBMAP3K20TGFBR2MAPK14
SCHEMBL23218015 0.65 TGFBR1 (0.59) TGFBR1TGFBR2MAPK14FEN1

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