SCHEMBL17463928

SCHEMBL17463928

CC1(C)c2ccccc2-c2ccc(-c3ccccc3Nc3ccc(-c4ccc(N)c(-c5ccccc5)c4)cc3)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK13 O15264 1/20 0.40
▸ MAPK12 P53778 1/20 0.40
▸ MAPK11 Q15759 1/20 0.40
▸ MAPK14 Q16539 1/20 0.40
▸ PDK2 Q15119 7/20 0.38
▸ HDAC1 Q13547 3/20 0.35
▸ HDAC3 O15379 2/20 0.35
▸ HDAC2 Q92769 2/20 0.35
▸ MAPT P10636 3/20 0.34
▸ GAA P10253 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL25125300 0.93 PDK2 (0.43) MAPK13MAPK12MAPK11MAPK14PDK2
SCHEMBL25125292 0.92 PDK2 (0.40) MAPK13MAPK12MAPK11MAPK14PDK2
SCHEMBL25502808 0.88 CDC25B (0.37) MAPK13MAPK12MAPK11MAPK14PDK2
SCHEMBL25502789 0.88 CDC25B (0.37) MAPK13MAPK12MAPK11MAPK14PDK2
SCHEMBL25125148 0.88 PDK2 (0.40) MAPK13MAPK12MAPK11MAPK14PDK2
SCHEMBL14681411 0.88 PDK2 (0.37) MAPK13MAPK12MAPK11MAPK14PDK2
SCHEMBL18916858 0.88 PDK2 (0.37) MAPK13MAPK12MAPK11MAPK14PDK2
SCHEMBL18199835 0.87 PDK2 (0.45) MAPK13MAPK12MAPK11MAPK14PDK2
SCHEMBL18034393 0.86 PDK2 (0.40) MAPK13MAPK12MAPK11MAPK14PDK2
SCHEMBL17733307 0.86 PDK2 (0.40) MAPK13MAPK12MAPK11MAPK14PDK2

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-2016013875-A1 ORGANIC ELECTROLUMINESCENT DEVICE ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2016-01-28 — — WO disclosed
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