SCHEMBL23739090

SCHEMBL23739090

N#Cc1ccc(-n2c3ccc4c(c3c3c5ccccc5ccc32)Sc2cc(-c3ccc5cc(-n6c7ccc8c(c7c7c9ccccc9ccc76)Sc6ccccc6C86c7ccccc7-c7ccccc76)ccc5c3)ccc2C42c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.32
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
SCHEMBL23738901 0.88
SCHEMBL23739068 0.83 PDPK1 (0.32) PDPK1
SCHEMBL23739093 0.83
SCHEMBL23184700 0.82 PDPK1 (0.33) PDPK1
SCHEMBL23184479 0.82 USP14 (0.33)
SCHEMBL23738829 0.81 KDM4E (0.33)
SCHEMBL23739089 0.81 KDM4E (0.31)
SCHEMBL23184455 0.81 CA1 (0.31) PDPK1
SCHEMBL23184218 0.81 CA1 (0.31) PDPK1
SCHEMBL23184007 0.81

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-3388438-B1 SPIRO-STRUCTURED COMPOUND AND ORGANIC ELECTRONIC DEVICE COMPRISING SAME LG CHEMICAL LTD (KR) 2021-08-11 EP disclosed