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SCHEMBL31026100

SCHEMBL31026100

CC(C)(C)c1cc(-c2ccccc2)c2c(c1)-c1ccc(-c3ccc(Nc4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)cc1C2(C)C

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 15/20 0.40
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ SERPINE1 P05121 1/20 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
SCHEMBL31026093 0.94 PDK2 (0.41) PDK2
SCHEMBL18697121 0.85 PDK2 (0.41) PDK2
SCHEMBL16366420 0.85 PDK2 (0.49) PDK2
SCHEMBL24969285 0.84 PDK2 (0.39) PDK2RXRARXRBSERPINE1
SCHEMBL29416687 0.84 PDK2 (0.44) PDK2RXRARXRBSERPINE1
SCHEMBL22870486 0.84 PDK2 (0.44) PDK2RXRARXRBSERPINE1
SCHEMBL9916960 0.84 PDK2 (0.48) PDK2
SCHEMBL9916961 0.84 PDK2 (0.47) PDK2
SCHEMBL31739355 0.83 PDK2 (0.38) PDK2RXRARXRB
SCHEMBL22182374 0.83 PDK2 (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4665715-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2025-12-24 — — EP disclosed
WO-2024170605-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2024-08-22 — — WO disclosed
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