SCHEMBL2606150

SCHEMBL2606150

C=C(c1ccccc1)c1nc(C(=O)c2ccccc2)nc(C2(c3cc(N(c4ccccc4)c4ccccc4)cc(N(c4ccccc4)c4ccccc4)c3)c3ccccc3-c3ccc4c(c32)C(C)(C)c2ccccc2-4)n1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 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
SCHEMBL12864447 0.96 PDK2 (0.34) PDK2
SCHEMBL10053635 0.81 PDK2 (0.39) PDK2
SCHEMBL12864440 0.80 ABCG2 (0.31) —
SCHEMBL12864449 0.78 PDK2 (0.33) PDK2
SCHEMBL2605980 0.74 PDK2 (0.32) PDK2
SCHEMBL12864439 0.73 PDK2 (0.31) PDK2
SCHEMBL13649833 0.73 ALDH1A1 (0.37) PDK2
SCHEMBL16631234 0.72 ESR1 (0.33) PDK2
SCHEMBL12864424 0.71 PDK2 (0.35) PDK2
SCHEMBL2605986 0.71 PDK2 (0.41) 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-2260023-B1 FLUORENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2012-04-25 — — EP disclosed
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