SCHEMBL25840616

SCHEMBL25840616

CC1(C)c2cc(-c3ccccc3)ccc2N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2ccc(-c3cccc(-c4ccc5c(c4)Sc4ccccc4N5c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c3)cc21

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.33

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
SCHEMBL25841052 0.93 PDK2 (0.32) PDK2
SCHEMBL10039058 0.89 PDK2 (0.40) PDK2
SCHEMBL807997 0.88 PDK2 (0.39) PDK2
SCHEMBL15183539 0.87 PDK2 (0.41) PDK2
SCHEMBL808000 0.87 PDK2 (0.38) PDK2
SCHEMBL19530841 0.86 PDK2 (0.39) PDK2
SCHEMBL21578632 0.86 HDAC6 (0.35)
SCHEMBL15183644 0.85 PDK2 (0.41) PDK2
SCHEMBL15183597 0.85 PDK2 (0.41) PDK2
SCHEMBL808056 0.85 HDAC6 (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-2023117836-A1 ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-06-29 WO disclosed