SCHEMBL19683859

SCHEMBL19683859

CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc(-c5ccccc5)ccc3-4)c3ccccc3-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4c3ccc3ccccc43)cc21

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
SCHEMBL19683853 0.93
SCHEMBL19683976 0.93 PDK2 (0.32) PDK2
SCHEMBL19683855 0.92 PDK2 (0.33) PDK2
SCHEMBL19683847 0.92
SCHEMBL19394210 0.92
SCHEMBL25124582 0.91
SCHEMBL25124599 0.91
SCHEMBL19683857 0.91 PDK2 (0.30) PDK2
SCHEMBL19001945 0.91 PDK2 (0.31) PDK2
SCHEMBL19683840 0.91

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-3464244-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-11-17 EP disclosed
WO-2017207596-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-12-07 WO disclosed