SCHEMBL24312339

SCHEMBL24312339

Cc1cccc(-c2nn3c(c2-c2ccc(F)c(-c4cnn(CCN)c4)c2)CCC3)n1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 18/20 0.66
THRB P10828 8/20 0.66
MAPK14 Q16539 4/20 0.54
TGFBR2 P37173 4/20 0.53
MAP3K20 Q9NYL2 4/20 0.53
CYP2D6 P10635 1/20 0.51

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
SCHEMBL24312342 0.89 TGFBR1 (0.60) TGFBR1THRBMAPK14TGFBR2MAP3K20
SCHEMBL23217993 0.89 TGFBR1 (0.50) TGFBR1THRBMAPK14TGFBR2MAP3K20
SCHEMBL24312341 0.87 THRB (0.57) TGFBR1THRBMAPK14TGFBR2MAP3K20
SCHEMBL414544 0.80 TGFBR1 (1.00) TGFBR1THRBMAPK14TGFBR2MAP3K20
SCHEMBL23217940 0.80 TGFBR1 (0.48) TGFBR1THRBMAPK14TGFBR2MAP3K20
SCHEMBL412655 0.78 TGFBR1 (0.82) TGFBR1THRBMAPK14TGFBR2MAP3K20
SCHEMBL413009 0.77 TGFBR1 (0.81) TGFBR1THRBMAPK14TGFBR2MAP3K20
SCHEMBL23218015 0.77 TGFBR1 (0.59) TGFBR1MAPK14TGFBR2
SCHEMBL414761 0.75 TGFBR1 (1.00) TGFBR1THRBMAPK14TGFBR2MAP3K20
SCHEMBL29832414 0.75 TGFBR1 (1.00) 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-2022076905-A1 ALK5 INHIBITORS, CONJUGATES, AND USES THEREOF SILVERBACK THERAPEUTICS, INC. (US) 2022-04-14 WO disclosed