SCHEMBL25328580

SCHEMBL25328580

C[C@@H]1CN(C(=O)O)[C@@H](c2ccccc2)CN1C(=O)C1(C(F)(F)F)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 6/20 0.42
PDK2 Q15119 2/20 0.37
PDK1 Q15118 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
NR1H3 Q13133 2/20 0.36
NR1H2 P55055 1/20 0.36
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33

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
SCHEMBL25327778 0.91 RIPK1 (0.34) RIPK1PDK2PDK1PDK3PDK4
SCHEMBL25327613 0.90 MDM2 (0.37) RIPK1PDK2PDK1PDK3PDK4
SCHEMBL25327269 0.90 RIPK1 (0.33) RIPK1PDK2PDK1PDK3PDK4
SCHEMBL25324212 0.89 RIPK1 (0.39) RIPK1PDK2PDK1PDK3PDK4
SCHEMBL25327493 0.88 GRIN2B (0.39)
SCHEMBL25914681 0.87 NR1H2 (0.43) RIPK1NR1H3NR1H2
SCHEMBL25326369 0.84 TACR1 (0.36) PDK2PDK1PDK3PDK4
SCHEMBL25325212 0.84 HDAC4 (0.38) PDK2PDK1NR1H3NR1H2
SCHEMBL25327457 0.84 NR1H2 (0.41) RIPK1NR1H3NR1H2
SCHEMBL25326301 0.82 PSEN1 (0.36)

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