SCHEMBL25327465

SCHEMBL25327465

CCN1CC(c2ccccc2)N(C(=O)C(=O)OCC(F)(F)F)CC1C.CCN1CC(c2ccccc2)N(C(=O)C(N)=O)CC1C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.38
RIPK1 Q13546 6/20 0.36
PDK1 Q15118 2/20 0.36
PDK2 Q15119 2/20 0.36
PDK3 Q15120 2/20 0.36
PDK4 Q16654 2/20 0.36
FABP7 O15540 1/20 0.35
P2RX7 Q99572 2/20 0.34
SLC6A9 P48067 1/20 0.32
NPC1 O15118 1/20 0.32
CHRM1 P11229 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL30522964 1.00 TACR1 (0.38) TACR1RIPK1PDK1PDK2PDK3
SCHEMBL25326993 0.95 RIPK1 (0.39) TACR1RIPK1PDK1PDK2PDK3
SCHEMBL25326997 0.95 RIPK1 (0.39) TACR1RIPK1PDK1PDK2PDK3
SCHEMBL30523018 0.90 PDK1 (0.37) TACR1RIPK1PDK1PDK2PDK3
SCHEMBL25327440 0.88 RIPK1 (0.33) TACR1RIPK1PDK1PDK2PDK3
SCHEMBL25326008 0.86 RIPK1 (0.42) RIPK1PDK1PDK2PDK3PDK4
SCHEMBL25326010 0.86 RIPK1 (0.42) RIPK1PDK1PDK2PDK3PDK4
SCHEMBL25328181 0.85 TACR1 (0.37) TACR1RIPK1PDK1PDK2PDK3
SCHEMBL30523039 0.85 TACR1 (0.37) TACR1RIPK1PDK1PDK2PDK3
SCHEMBL25326570 0.85 PDK1 (0.40) TACR1RIPK1PDK1PDK2PDK3

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