SCHEMBL21517366

SCHEMBL21517366

Nc1cccc2c1-c1cc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4ccccc34)ccc1C21c2ccccc2Sc2ccccc21

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 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
SCHEMBL21517372 0.99 PDK2 (0.32) PDK2
SCHEMBL21517378 0.95
SCHEMBL21517382 0.91
SCHEMBL21517368 0.89 DHFR (0.32)
SCHEMBL21517373 0.88 PDK2 (0.32) PDK2
SCHEMBL21517376 0.88 KDM4E (0.33) PDK2
SCHEMBL21517375 0.86 KDM4E (0.34) PDK2
SCHEMBL21517345 0.85 PDK2 (0.32) PDK2
SCHEMBL21517267 0.85 PDK2 (0.34) PDK2
SCHEMBL21517265 0.85 PDK2 (0.34) 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-2019203491-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2019-10-24 WO disclosed