SCHEMBL14733213

SCHEMBL14733213

Bc1ccc2c(c1)C(F)(F)c1cc(B)ccc1-2

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.33

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
SCHEMBL13567287 0.95 PDK2 (0.31) PDK2
SCHEMBL19607479 0.88 PDK2 (0.41) PDK2
SCHEMBL19792212 0.77 GSK3B (0.42) PDK2
SCHEMBL21841881 0.75
SCHEMBL12954345 0.71
SCHEMBL206283 0.70 PDK2 (0.48) PDK2
SCHEMBL13107406 0.70 PDK2 (0.48) PDK2
SCHEMBL17474763 0.70 PDK2 (0.48) PDK2
SCHEMBL22926653 0.70 KDM4E (0.41) PDK2
SCHEMBL21416434 0.70 KDM4E (0.41) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017072596-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF LEDIPASVIR OPTIMUS DRUGS (P) LTD (IN) 2017-05-04 WO disclosed
WO-2013028953-A1 COMBINATION TREATMENTS FOR HEPATITIS C GLAXOSMITHKLINE LLC (US) 2013-02-28 WO disclosed