SCHEMBL23217902

SCHEMBL23217902

Cc1cccc(-c2nn3c(c2-c2ccc4ncc(OCCCCN)cc4c2)CCC3)n1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 18/20 0.60
TGFBR2 P37173 5/20 0.60
MAP3K20 Q9NYL2 4/20 0.60
THRB P10828 7/20 0.58
CYP2D6 P10635 1/20 0.58
MAPK14 Q16539 3/20 0.57

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
SCHEMBL23217975 0.90 TGFBR1 (0.54) TGFBR1TGFBR2MAP3K20THRBCYP2D6
SCHEMBL23217933 0.88 TGFBR1 (0.54) TGFBR1TGFBR2MAP3K20THRBCYP2D6
SCHEMBL24312011 0.87 TGFBR1 (0.61) TGFBR1TGFBR2MAP3K20THRBCYP2D6
SCHEMBL24311950 0.85 TGFBR1 (0.62) TGFBR1TGFBR2MAP3K20THRBCYP2D6
SCHEMBL24312358 0.82 TGFBR1 (0.48) TGFBR1TGFBR2MAP3K20THRBCYP2D6
SCHEMBL24311946 0.82 TGFBR1 (0.60) TGFBR1TGFBR2MAP3K20THRBCYP2D6
SCHEMBL24312356 0.80 TGFBR1 (0.62) TGFBR1TGFBR2MAP3K20THRBCYP2D6
SCHEMBL24312353 0.79 TGFBR1 (0.64) TGFBR1TGFBR2MAP3K20THRBCYP2D6
SCHEMBL24311953 0.79 TGFBR1 (0.58) TGFBR1TGFBR2MAP3K20THRBCYP2D6
SCHEMBL24312357 0.79 TGFBR1 (0.53) TGFBR1TGFBR2MAP3K20THRBCYP2D6

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 2 patents. 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
WO-2021072330-A1 GALNAC-TGFBR1 INHIBITOR CONJUGATES FOR THE TREATMENT OF LIVER DISEASES SILVERBACK THERAPEUTICS, INC. (US) 2021-04-15 WO disclosed