SCHEMBL24312342

SCHEMBL24312342

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

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 17/20 0.60
THRB P10828 9/20 0.60
MAP3K20 Q9NYL2 4/20 0.41
TGFBR2 P37173 3/20 0.41
MAPK14 Q16539 2/20 0.40
CYP2D6 P10635 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
SCHEMBL24312339 0.89 TGFBR1 (0.66) TGFBR1THRBMAP3K20TGFBR2MAPK14
SCHEMBL23217993 0.87 TGFBR1 (0.50) TGFBR1THRBMAP3K20TGFBR2MAPK14
SCHEMBL24312341 0.85 THRB (0.57) TGFBR1THRBMAP3K20TGFBR2MAPK14
SCHEMBL24311916 0.77 TGFBR1 (0.45) TGFBR1
SCHEMBL23217940 0.77 TGFBR1 (0.48) TGFBR1THRBMAP3K20TGFBR2MAPK14
SCHEMBL412382 0.76 TGFBR1 (1.00) TGFBR1THRBMAP3K20TGFBR2MAPK14
SCHEMBL23217922 0.75 TGFBR1 (0.60) TGFBR1THRBMAP3K20TGFBR2MAPK14
SCHEMBL24312017 0.75 TGFBR1 (0.60) TGFBR1THRBMAP3K20TGFBR2MAPK14
SCHEMBL24312016 0.74 TGFBR1 (0.58) TGFBR1THRBMAP3K20TGFBR2MAPK14
SCHEMBL24312440 0.72 TGFBR1 (0.56) TGFBR1THRBMAP3K20TGFBR2MAPK14

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