SCHEMBL22902173

SCHEMBL22902173

C=C/C=C(\C=C)c1ccc2c(c1)Sc1cc(-c3ccccc3)ccc1N2c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.31

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
SCHEMBL22902146 0.86 PDK2 (0.31) PDK2
SCHEMBL808000 0.84 PDK2 (0.38) PDK2
SCHEMBL15183597 0.80 PDK2 (0.41) PDK2
SCHEMBL22902177 0.79 PDK2 (0.31) PDK2
SCHEMBL16544727 0.78 PDK2 (0.35) PDK2
SCHEMBL10039058 0.77 PDK2 (0.40) PDK2
SCHEMBL22183328 0.75 PDK2 (0.37) PDK2
SCHEMBL20387154 0.74
SCHEMBL25840616 0.74 PDK2 (0.33) PDK2
SCHEMBL808056 0.73 HDAC6 (0.38) 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
EP-2826079-B1 ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2021-01-20 EP disclosed