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SCHEMBL81603

SCHEMBL81603

CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)-c3nc(-c5ccc6c(n5)-c5cc(-c7ccc8c(n7)C(C)(C)c7ccccc7-8)ccc5C6(C)C)ccc3C4(C)C)cc21

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 13/20 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
SCHEMBL80233 0.92 PDK2 (0.36) PDK2
SCHEMBL10036762 0.91 PDK2 (0.37) PDK2
SCHEMBL81211 0.90 PDK2 (0.36) PDK2
SCHEMBL81600 0.90 PDK2 (0.35) PDK2
SCHEMBL80760 0.89 PDK2 (0.42) PDK2
SCHEMBL81931 0.89 PDK2 (0.35) PDK2
SCHEMBL80478 0.88 PDK2 (0.35) PDK2
SCHEMBL81005 0.88 PDK2 (0.37) PDK2
SCHEMBL80234 0.88 PDK2 (0.37) PDK2
SCHEMBL10037430 0.88 PDK2 (0.35) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129899-B1 Azafluorene derivative and organic light-emitting device using the derivative CANON KABUSHIKI KAISHA (JP) 2012-03-06 — — US disclosed
US-8129899-B1 Azafluorene derivative and organic light-emitting device using the derivative CANON KABUSHIKI KAISHA (JP) 2012-03-06 — — US disclosed
US-20120049176-A1 AZAFLUORENE DERIVATIVE AND ORGANIC LIGHT-EMITTING DEVICE USING THE DERIVATIVE CANON KABUSHIKI KAISHA (JP) 2012-03-01 — — US disclosed
US-20120049176-A1 AZAFLUORENE DERIVATIVE AND ORGANIC LIGHT-EMITTING DEVICE USING THE DERIVATIVE CANON KABUSHIKI KAISHA (JP) 2012-03-01 — — US disclosed