SCHEMBL25327414

SCHEMBL25327414

C[C@@H]1CN(C(=O)C(=O)OCC(F)(F)F)[C@@H](c2ccccc2)CN1C(=O)C(C)(C)CN(C)C.C[C@@H]1CN[C@@H](c2ccccc2)CN1C(=O)C(C)(C)CN(C)C

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 2/20 0.34
PDK2 Q15119 2/20 0.34
PDK3 Q15120 2/20 0.34
PDK4 Q16654 2/20 0.34
RIPK1 Q13546 2/20 0.32
FABP7 O15540 1/20 0.30

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
SCHEMBL25323657 0.92 PDK1 (0.39) PDK1PDK2PDK3PDK4RIPK1
SCHEMBL25325264 0.91 RIPK1 (0.38) PDK1PDK2PDK3PDK4RIPK1
SCHEMBL25326936 0.89 PDK1 (0.37) PDK1PDK2PDK3PDK4RIPK1
SCHEMBL25327967 0.83 RIPK1 (0.41) PDK1PDK2PDK3PDK4RIPK1
SCHEMBL30523075 0.83 NR1H2 (0.38) PDK1PDK2PDK3PDK4RIPK1
SCHEMBL25326422 0.81 RIPK1 (0.45) PDK1PDK2PDK3PDK4RIPK1
SCHEMBL25327440 0.81 RIPK1 (0.33) PDK1PDK2PDK3PDK4RIPK1
SCHEMBL25327351 0.80 RIPK1 (0.38) PDK1PDK2PDK3PDK4RIPK1
SCHEMBL25916336 0.79 PDK2 (0.33) PDK1PDK2PDK3PDK4
SCHEMBL25327418 0.79 FABP7 (0.32) PDK1PDK2PDK3PDK4RIPK1

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