SCHEMBL15908617

SCHEMBL15908617

c1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)c4cccc6c4n5-c4ccccc4C64c5ccccc5-c5ccccc54)cc3)cc(-c3ccccc3)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 6/20 0.35
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP19A1 P11511 1/20 0.31
DHODH Q02127 1/20 0.30

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
SCHEMBL15908650 0.99 PDK2 (0.33) PDK2
SCHEMBL15908621 0.93 MEN1 (0.36) PDK2MEN1KMT2ADHODH
SCHEMBL15908616 0.93 PDK2 (0.37) PDK2MEN1KMT2ACYP19A1
SCHEMBL15908629 0.93 MEN1 (0.36) PDK2MEN1KMT2ADHODH
SCHEMBL15908651 0.92 PDK2 (0.35) PDK2
SCHEMBL24293390 0.91 PDK2 (0.31) PDK2
SCHEMBL9883239 0.91 MEN1 (0.34) PDK2MEN1KMT2A
SCHEMBL15908623 0.91 PDK2 (0.34) PDK2
SCHEMBL15908614 0.90 PDK2 (0.36) PDK2MEN1KMT2ACYP19A1DHODH
SCHEMBL15908657 0.90 MAPT (0.36) MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9203033-B2 Nitrogen-containing heterocyclic compounds and organic electronic device comprising the same LG CHEM, LTD. (KR) 2015-12-01 US disclosed
US-9203033-B2 Nitrogen-containing heterocyclic compounds and organic electronic device comprising the same LG CHEM, LTD. (KR) 2015-12-01 US disclosed
US-20140209884-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND ORGANIC ELECTRONIC DEVICE COMPRISING THE SAME LG CHEM LTD. (KR) 2014-07-31 US disclosed
US-20140209884-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND ORGANIC ELECTRONIC DEVICE COMPRISING THE SAME LG CHEM LTD. (KR) 2014-07-31 US disclosed