SCHEMBL25325898

SCHEMBL25325898

C[C@@H]1CN(C(=O)O)[C@@H](c2cccc(Br)c2)CN1C(=O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 10/20 0.44
PDE5A O76074 1/20 0.43
SLC6A9 P48067 2/20 0.39
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
HDAC4 P56524 1/20 0.35

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
SCHEMBL30522978 0.86 NR1H2 (0.43) RIPK1PDE5ATSHRNPSR1
SCHEMBL25324862 0.86 NR1H2 (0.43) RIPK1PDE5ATSHRNPSR1
SCHEMBL25324866 0.86 NR1H2 (0.43) RIPK1PDE5ATSHRNPSR1
SCHEMBL25327354 0.86 RIPK1 (0.58) RIPK1PDK1PDK2PDK3PDK4
SCHEMBL25327435 0.86 RIPK1 (0.53) RIPK1PDE5ASLC6A9PDK1PDK2
SCHEMBL25327034 0.83 SLC6A9 (0.39) RIPK1PDE5ASLC6A9TSHRNPSR1
SCHEMBL25326988 0.81 RIPK1 (0.53) RIPK1PDK1PDK2PDK3PDK4
SCHEMBL25327344 0.80 TMEM97 (0.45) RIPK1SLC6A9
SCHEMBL25328951 0.78 RIPK1 (0.45) RIPK1PDK1PDK2PDK3PDK4
SCHEMBL30522918 0.77 NR1H2 (0.48) RIPK1

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-2023146991-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed