SCHEMBL22902194

SCHEMBL22902194

C=C/C=C(\C=C)c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 3/20 0.35

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
SCHEMBL20198527 0.87 MEN1 (0.37) —
SCHEMBL19867937 0.82 ALDH1A1 (0.39) —
SCHEMBL22423145 0.81 — —
SCHEMBL15183519 0.80 PDK2 (0.44) PDK2
SCHEMBL15183504 0.80 PDK2 (0.44) PDK2
SCHEMBL23544434 0.80 PDK2 (0.44) PDK2
SCHEMBL11966151 0.80 PDK2 (0.44) PDK2
SCHEMBL11974121 0.80 PDK2 (0.44) PDK2
SCHEMBL240362 0.80 PDK2 (0.44) PDK2
SCHEMBL12559952 0.80 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
EP-2826079-B1 ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2021-01-20 — — EP disclosed
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