SCHEMBL13467600

SCHEMBL13467600

C1=CCCC(c2cc(-c3ccccc3)cc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)n3)c2)=C1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 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
SCHEMBL21845479 0.95 PDK2 (0.32) PDK2
SCHEMBL21845601 0.94 PDK2 (0.35) PDK2
SCHEMBL13191069 0.94 PDK2 (0.36) PDK2
SCHEMBL14854235 0.89 PDK2 (0.32) PDK2
SCHEMBL19383485 0.89 PDK2 (0.36) PDK2
SCHEMBL14854234 0.89 PDK2 (0.34) PDK2
SCHEMBL13190924 0.84
SCHEMBL12133778 0.83 PDK2 (0.44) PDK2
SCHEMBL29844003 0.83 PDK2 (0.44) PDK2
SCHEMBL12133793 0.83 PDK2 (0.44) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3132477-B1 OLED DEVICE WITH THIN POROUS LAYERS OF MIXED METAL OXIDES MERCK PATENT GMBH (DE) 2019-08-14 EP disclosed
EP-2935292-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-04-10 EP disclosed
WO-2012139693-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-10-18 WO disclosed