SCHEMBL21975482

SCHEMBL21975482

C=N/C(=N\C(=N/Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(-c3nc(-c4ccc(C#N)cc4)nc(-c4ccc(C#N)cc4)n3)ccc1-2)c1ccc(C#N)cc1)c1ccc(C#N)cc1

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 3/20 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
SCHEMBL21230728 0.90 PDK2 (0.34) PDK2
SCHEMBL20832444 0.84 PDK2 (0.37) PDK2
SCHEMBL20832170 0.82 PDK2 (0.37) PDK2
SCHEMBL12134949 0.78 PDK2 (0.51) PDK2
SCHEMBL12134948 0.78 PDK2 (0.51) PDK2
SCHEMBL21845635 0.78 GRIN2B (0.40) PDK2
SCHEMBL21845606 0.78 GRIN2B (0.37) PDK2
SCHEMBL19171609 0.77 PDK2 (0.50) PDK2
SCHEMBL20832349 0.77 PDK2 (0.44) PDK2
SCHEMBL21146417 0.76 GRIN2B (0.35) 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
EP-2627730-B1 FORMULATIONS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2020-05-06 — — EP disclosed
Send feedback