SCHEMBL25327591

SCHEMBL25327591

C[C@@H]1CN(C(=O)C(F)(F)F)[C@@H](c2ccc(F)cc2)CN1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.37
PDK1 Q15118 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
RIPK1 Q13546 2/20 0.34
SLC6A9 P48067 5/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
CCR1 P32246 1/20 0.34

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
SCHEMBL25326910 0.89 RIPK1 (0.44) PDK2PDK1PDK3PDK4RIPK1
SCHEMBL25328951 0.84 RIPK1 (0.45) PDK2PDK1PDK3PDK4RIPK1
SCHEMBL25328193 0.84 TACR1 (0.41) NR1H2NR1H3
SCHEMBL25917992 0.84 TACR1 (0.41) NR1H2NR1H3
SCHEMBL25329324 0.83 GAA (0.38) PDK2NR1H2NR1H3
SCHEMBL25327620 0.82 SLC9A1 (0.35) SLC6A9
SCHEMBL25327282 0.81 PDK1 (0.56) PDK2PDK1PDK3PDK4SLC6A9
SCHEMBL25326276 0.81 PDK1 (0.56) PDK2PDK1PDK3PDK4SLC6A9
SCHEMBL25326674 0.79 KMT2A (0.41) RIPK1CCR1
SCHEMBL25328898 0.77 SMN1; SMN2 (0.34) RIPK1SLC6A9

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