SCHEMBL19001828

SCHEMBL19001828

CC1(C)c2ccccc2N(c2cccc3c2-c2ccc(-c4ccccc4)cc2C32c3ccccc3-c3ccc(-c4ccccc4)cc32)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 17/20 0.39
PGR P06401 1/20 0.34
TYMS P04818 1/20 0.33
PDE6D O43924 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
SCHEMBL19001815 1.00 PDK2 (0.39) PDK2PGRTYMSPDE6D
SCHEMBL19001836 0.98 PDK2 (0.38) PDK2PGRTYMSPDE6D
SCHEMBL17816797 0.94 PDK2 (0.36) PDK2PGRTYMSPDE6D
SCHEMBL16810737 0.94 PDK2 (0.36) PDK2PGRTYMSPDE6D
SCHEMBL15213627 0.94 PDK2 (0.37) PDK2PGRTYMSPDE6D
SCHEMBL19001839 0.92 PDK2 (0.34) PDK2PGR
SCHEMBL25121505 0.88 PDE6D (0.33) PDK2PDE6D
SCHEMBL17974877 0.87 PGR (0.36) PGR
SCHEMBL15870916 0.87 PDK2 (0.33) PDK2TYMSPDE6D
SCHEMBL19001901 0.87 PDK2 (0.35) PDK2PGRTYMSPDE6D

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
EP-3390365-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-04-14 EP disclosed
WO-2017102063-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-06-22 WO disclosed