SCHEMBL808140

SCHEMBL808140

Cc1cc(-c2ccccc2)ccc1Nc1ccc2c(c1)C1(C3=C(CCC=C3)c3ccccc31)c1ccccc1-2

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.31

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
SCHEMBL807854 0.83 PDK2 (0.39) PDK2
SCHEMBL19217060 0.82 PDK2 (0.45) PDK2
SCHEMBL808148 0.82 PDK2 (0.39) PDK2
SCHEMBL25821481 0.81 PDK2 (0.35) PDK2
SCHEMBL26084164 0.79 PDK2 (0.34) PDK2
SCHEMBL15183715 0.79 PDK2 (0.42) PDK2
SCHEMBL23136679 0.78 PDK2 (0.34) PDK2
SCHEMBL23137961 0.77 ALDH1A1 (0.38) PDK2
SCHEMBL17901825 0.77
SCHEMBL22594708 0.76 ABL1 (0.30)

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-2012034627-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-03-22 WO disclosed