SCHEMBL12187293

SCHEMBL12187293

C1=CCC(c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)n3)c2)C=C1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 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
SCHEMBL24741537 0.94 PDK2 (0.33) PDK2
SCHEMBL25821302 0.88 PDK2 (0.32) PDK2
SCHEMBL19526791 0.87 MEN1 (0.33) PDK2
SCHEMBL21231117 0.86 PDK2 (0.33) PDK2
SCHEMBL26716695 0.86 PDK2 (0.33) PDK2
SCHEMBL19527030 0.85 PDK2 (0.34) PDK2
SCHEMBL13190924 0.84
SCHEMBL18644481 0.83 GP6 (0.35)
SCHEMBL22001427 0.82 MEN1 (0.32) PDK2
SCHEMBL25068669 0.82 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011141109-A1 ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2011-11-17 WO disclosed