SCHEMBL24312356

SCHEMBL24312356

Cc1cccc(-c2nn3c(c2-c2ccc4ncc(CCN)nc4c2)CCC3)n1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 18/20 0.62
THRB P10828 7/20 0.62
TGFBR2 P37173 6/20 0.61
MAP3K20 Q9NYL2 4/20 0.61
CYP2D6 P10635 1/20 0.61
MAPK14 Q16539 4/20 0.57
GAK O14976 1/20 0.49
RIPK2 O43353 1/20 0.49
MAP4K4 O95819 1/20 0.49
KDR P35968 1/20 0.49
ACVR1B P36896 1/20 0.49
CSNK1A1 P48729 1/20 0.49
CSNK1D P48730 1/20 0.49
CSNK1E P49674 1/20 0.49
TGFB2 P61812 1/20 0.49
MINK1 Q8N4C8 1/20 0.49
COQ8A Q8NI60 1/20 0.49
TNIK Q9UKE5 1/20 0.49
RIPK3 Q9Y572 1/20 0.49

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
SCHEMBL24312353 0.93 TGFBR1 (0.64) TGFBR1THRBTGFBR2MAP3K20CYP2D6
SCHEMBL24311955 0.88 TGFBR1 (0.58) TGFBR1THRBTGFBR2MAP3K20CYP2D6
SCHEMBL23217922 0.87 TGFBR1 (0.60) TGFBR1THRBTGFBR2MAP3K20CYP2D6
SCHEMBL24311946 0.86 TGFBR1 (0.60) TGFBR1THRBTGFBR2MAP3K20CYP2D6
SCHEMBL24311950 0.86 TGFBR1 (0.62) TGFBR1THRBTGFBR2MAP3K20CYP2D6
SCHEMBL24312011 0.85 TGFBR1 (0.61) TGFBR1THRBTGFBR2MAP3K20CYP2D6
SCHEMBL4815976 0.84 TGFBR1 (0.67) TGFBR1THRBTGFBR2MAP3K20CYP2D6
SCHEMBL4822897 0.83 TGFBR1 (0.73) TGFBR1THRBTGFBR2MAP3K20CYP2D6
SCHEMBL4818704 0.82 TGFBR1 (0.62) TGFBR1THRBTGFBR2MAP3K20CYP2D6
SCHEMBL4821173 0.82 TGFBR1 (0.62) TGFBR1THRBTGFBR2MAP3K20CYP2D6

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