SCHEMBL25837986

SCHEMBL25837986

Cc1cc2c(c([C@@H]3CCCN3)c1)CN(C(=O)[C@](C)(O)C(F)(F)F)C2

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 16/20 0.39

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
SCHEMBL25838460 1.00 PDK2 (0.39) PDK2
SCHEMBL25837964 0.91 PDK2 (0.42) PDK2
SCHEMBL25837876 0.87 PDK2 (0.37) PDK2
SCHEMBL25837977 0.80 NAMPT (0.33)
SCHEMBL25263940 0.79 MAP3K12 (0.38) PDK2
SCHEMBL25294737 0.79 MAP3K12 (0.38) PDK2
SCHEMBL25294735 0.79 MAP3K12 (0.38) PDK2
SCHEMBL30491210 0.79 MAP3K12 (0.38) PDK2
SCHEMBL30491196 0.79 MAP3K12 (0.38) PDK2
SCHEMBL25294736 0.79 MAP3K12 (0.38) PDK2

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-2023131122-A1 FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2023-07-13 WO disclosed