SCHEMBL22253159

SCHEMBL22253159

CC(C)(C)c1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)oc2c4oc5cc(N(c6ccc(C(C)(C)C)cc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)ccc5c4c4ccccc4c32)cc1

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
SCHEMBL17658501 0.94 — —
SCHEMBL13507945 0.91 PDK2 (0.34) PDK2
SCHEMBL21019341 0.88 — —
SCHEMBL13508196 0.86 KIF11 (0.35) —
SCHEMBL17658343 0.84 PDK2 (0.32) PDK2
SCHEMBL17658311 0.84 PDK2 (0.32) PDK2
SCHEMBL13507941 0.84 PDK2 (0.32) PDK2
SCHEMBL27366580 0.84 ALOX5 (0.35) —
SCHEMBL27364644 0.84 PDK2 (0.33) PDK2
SCHEMBL25903100 0.84 MEN1 (0.32) —

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-2020149610-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2020-07-23 — — WO disclosed
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