SCHEMBL13388991

SCHEMBL13388991

CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ncccn5)ccc3-4)cc21

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 18/20 0.44
▸ DYRK1A Q13627 1/20 0.37
▸ CLK4 Q9HAZ1 1/20 0.37

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
SCHEMBL30601319 0.98 PDK2 (0.44) PDK2DYRK1ACLK4
SCHEMBL28547043 0.98 PDK2 (0.44) PDK2DYRK1ACLK4
SCHEMBL14508218 0.97 PDK2 (0.42) PDK2DYRK1ACLK4
SCHEMBL14508230 0.97 PDK2 (0.42) PDK2DYRK1ACLK4
SCHEMBL14508217 0.95 PDK2 (0.41) PDK2DYRK1ACLK4
SCHEMBL14508227 0.95 PDK2 (0.41) PDK2DYRK1ACLK4
SCHEMBL20359400 0.95 PDK2 (0.41) PDK2DYRK1ACLK4
SCHEMBL14508195 0.94 PDK2 (0.40) PDK2
SCHEMBL14508155 0.94 PDK2 (0.40) PDK2
SCHEMBL14508164 0.94 PDK2 (0.42) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7704609-B2 Compound and organic electroluminescense device using the same CANON KABUSHIKI KAISHA (JP) 2010-04-27 — — US disclosed
Send feedback