SCHEMBL13191069

SCHEMBL13191069

C1=CCCC(c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)n3)c2)=C1

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 11/20 0.36

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
SCHEMBL19383485 0.96 PDK2 (0.36) PDK2
SCHEMBL14854234 0.95 PDK2 (0.34) PDK2
SCHEMBL21845601 0.94 PDK2 (0.35) PDK2
SCHEMBL13467600 0.94 PDK2 (0.33) PDK2
SCHEMBL13190927 0.89 PDK2 (0.34) PDK2
SCHEMBL21845479 0.89 PDK2 (0.32) PDK2
SCHEMBL22547598 0.87 PDK2 (0.38) PDK2
SCHEMBL19298211 0.85 PDK2 (0.31) PDK2
SCHEMBL26286560 0.85 MEN1 (0.34)
SCHEMBL18901391 0.84 PDK2 (0.34) 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-2010102706-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2010-09-16 WO disclosed