SCHEMBL19987422

SCHEMBL19987422

CC(C)=C/C=C(\C)N(c1ccc(C)cc1)c1ccc2c(c1)C1(c3cc(N(c4ccc(C)cc4)c4ccc(C)cc4)ccc3-2)c2cc(N(c3ccc(C)cc3)c3ccc(C)cc3)ccc2-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc21

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 4/20 0.32

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
SCHEMBL21415960 0.94 PDK2 (0.39) PDK2
SCHEMBL22591498 0.88 — —
SCHEMBL21926598 0.85 — —
SCHEMBL133508 0.80 ALDH1A1 (0.38) PDK2
SCHEMBL29445802 0.80 ALDH1A1 (0.38) PDK2
SCHEMBL14767887 0.78 PDK2 (0.32) PDK2
SCHEMBL19883138 0.78 — —
SCHEMBL12325212 0.77 PDK2 (0.37) PDK2
SCHEMBL20859485 0.77 PDK2 (0.37) PDK2
SCHEMBL18676889 0.76 — —

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-2907173-B1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2018-03-21 — — EP disclosed
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