SCHEMBL25328951

SCHEMBL25328951

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

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 10/20 0.45
PDK2 Q15119 3/20 0.39
PDK1 Q15118 2/20 0.39
PDK3 Q15120 2/20 0.39
PDK4 Q16654 2/20 0.39
KIF11 P52732 2/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL25327354 0.88 RIPK1 (0.58) RIPK1PDK2PDK1PDK3PDK4
SCHEMBL25325663 0.86 RIPK1 (0.39) RIPK1PDK2PDK1PDK3PDK4
SCHEMBL25324187 0.85 RIPK1 (0.40) RIPK1KIF11
SCHEMBL30522896 0.85 RIPK1 (0.40) RIPK1KIF11
SCHEMBL25326625 0.85 RIPK1 (0.40) RIPK1KIF11
SCHEMBL25326627 0.85 RIPK1 (0.40) RIPK1KIF11
SCHEMBL25324182 0.85 RIPK1 (0.40) RIPK1KIF11
SCHEMBL25327591 0.84 PDK2 (0.37) RIPK1PDK2PDK1PDK3PDK4
SCHEMBL25326988 0.83 RIPK1 (0.53) RIPK1PDK2PDK1PDK3PDK4
SCHEMBL25326674 0.82 KMT2A (0.41) 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