SCHEMBL22150952

SCHEMBL22150952

CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(c3ccccc3)(c3ccc(-c5ccccc5)cc3)c3cccc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)c3-4)cc21

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 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
SCHEMBL22151583 0.97 KDM4E (0.33) PDK2
SCHEMBL22125404 0.96 KDM4E (0.33) PDK2
SCHEMBL21037259 0.95 PDK2 (0.31) PDK2
SCHEMBL22403344 0.95 KDM4E (0.32) PDK2
SCHEMBL18468763 0.95 PDK2 (0.32) PDK2
SCHEMBL20346052 0.95 KDM4E (0.34) PDK2
SCHEMBL20345949 0.95 KDM4E (0.34) PDK2
SCHEMBL22151019 0.95 KDM4E (0.34) PDK2
SCHEMBL18468957 0.95 PDK2 (0.32) PDK2
SCHEMBL22403528 0.94 PDK2 (0.31) 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
WO-2020127145-A2 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-06-25 WO disclosed