SCHEMBL24312341

SCHEMBL24312341

NCCn1cc(-c2cc(-c3c(-c4ccccn4)nn4c3CCC4)ccc2F)cn1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
THRB P10828 6/20 0.57
TGFBR1 P36897 18/20 0.53
TGFBR2 P37173 5/20 0.53
MAP3K20 Q9NYL2 5/20 0.53
MAPK14 Q16539 3/20 0.46
FEN1 P39748 1/20 0.42

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
SCHEMBL24312339 0.87 TGFBR1 (0.66) THRBTGFBR1TGFBR2MAP3K20MAPK14
SCHEMBL23217993 0.85 TGFBR1 (0.50) THRBTGFBR1TGFBR2MAP3K20MAPK14
SCHEMBL24312342 0.85 TGFBR1 (0.60) THRBTGFBR1TGFBR2MAP3K20MAPK14
SCHEMBL24312429 0.76 FEN1 (0.49) TGFBR1FEN1
SCHEMBL23217940 0.75 TGFBR1 (0.48) THRBTGFBR1TGFBR2MAP3K20MAPK14
SCHEMBL412969 0.74 THRB (1.00) THRBTGFBR1TGFBR2MAP3K20MAPK14
SCHEMBL413657 0.72 TGFBR1 (0.73) THRBTGFBR1TGFBR2MAP3K20MAPK14
SCHEMBL24311955 0.72 TGFBR1 (0.58) THRBTGFBR1TGFBR2MAP3K20MAPK14
SCHEMBL24311945 0.72 TGFBR1 (0.58) THRBTGFBR1TGFBR2MAP3K20MAPK14
SCHEMBL4820595 0.71 TGFBR1 (0.72) THRBTGFBR1TGFBR2MAP3K20MAPK14

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-2022076905-A1 ALK5 INHIBITORS, CONJUGATES, AND USES THEREOF SILVERBACK THERAPEUTICS, INC. (US) 2022-04-14 WO disclosed