SCHEMBL19010972

SCHEMBL19010972

CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)cc21

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 19/20 0.34

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
SCHEMBL19010953 0.99 PDK2 (0.35) PDK2
SCHEMBL19011193 0.98 PDK2 (0.33) PDK2
SCHEMBL20434354 0.96 PDK2 (0.34) PDK2
SCHEMBL19011166 0.96 PDK2 (0.39) PDK2
SCHEMBL18457454 0.96 PDK2 (0.36) PDK2
SCHEMBL19010958 0.96 PDK2 (0.34) PDK2
SCHEMBL24646606 0.95 PDK2 (0.36) PDK2
SCHEMBL19001911 0.95 PDK2 (0.36) PDK2
SCHEMBL16544744 0.95 PDK2 (0.36) PDK2
SCHEMBL23222532 0.95 PDK2 (0.36) 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-2017102064-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-06-22 — — WO disclosed
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