SCHEMBL23217945

SCHEMBL23217945

O=C(O)NCCNC(=O)c1cnc2ccc(-c3c(-c4cccc(C(F)F)n4)nn4c3CCC4)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 19/20 0.47
TGFBR2 P37173 5/20 0.44
MAP3K20 Q9NYL2 4/20 0.44
CYP2D6 P10635 1/20 0.44
THRB P10828 7/20 0.44
MAPK14 Q16539 3/20 0.42
GAK O14976 1/20 0.40
RIPK2 O43353 1/20 0.40
MAP4K4 O95819 1/20 0.40
KDR P35968 1/20 0.40
ACVR1B P36896 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CSNK1D P48730 1/20 0.40
CSNK1E P49674 1/20 0.40
TGFB2 P61812 1/20 0.40
MINK1 Q8N4C8 1/20 0.40
COQ8A Q8NI60 1/20 0.40
TNIK Q9UKE5 1/20 0.40
RIPK3 Q9Y572 1/20 0.40

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
SCHEMBL23217956 0.93 TGFBR1 (0.47) TGFBR1TGFBR2MAP3K20CYP2D6THRB
SCHEMBL24311953 0.83 TGFBR1 (0.58) TGFBR1TGFBR2MAP3K20CYP2D6THRB
SCHEMBL24312018 0.81 TGFBR1 (0.53) TGFBR1TGFBR2MAP3K20CYP2D6THRB
SCHEMBL23217940 0.77 TGFBR1 (0.48) TGFBR1TGFBR2MAP3K20CYP2D6THRB
SCHEMBL23217933 0.76 TGFBR1 (0.54) TGFBR1TGFBR2MAP3K20CYP2D6THRB
SCHEMBL23217901 0.73 TGFBR1 (0.54) TGFBR1TGFBR2MAP3K20CYP2D6THRB
SCHEMBL4821493 0.69 TGFBR1 (0.63) TGFBR1TGFBR2MAP3K20CYP2D6THRB
SCHEMBL24311950 0.68 TGFBR1 (0.62) TGFBR1TGFBR2MAP3K20CYP2D6THRB
SCHEMBL24311996 0.68 TGFBR1 (0.53) TGFBR1TGFBR2MAP3K20THRB
SCHEMBL4818704 0.66 TGFBR1 (0.62) TGFBR1TGFBR2MAP3K20CYP2D6THRB

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