SCHEMBL16809818

SCHEMBL16809818

CC1(C)c2ccccc2-c2cc(-c3nc(-c4ccc(-c5ccc6c(c5)c5cc(C#N)ccc5n6-c5ccc6ccccc6c5)cc4)nc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)n3)ccc21

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 2/20 0.35
▸ PGR P06401 2/20 0.33
▸ PIK3CD O00329 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ ALK Q9UM73 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
SCHEMBL16809817 0.91 PDK2 (0.37) PDK2PGRPIK3CDPIK3CAALK
SCHEMBL16809508 0.88 PGR (0.38) PDK2PGRPIK3CDPIK3CAALK
SCHEMBL16809820 0.87 CYP11B2 (0.40) PDK2PIK3CDPIK3CA
SCHEMBL16809797 0.87 TDP2 (0.35) PDK2PGRPIK3CDPIK3CAALK
SCHEMBL16809771 0.86 PDK2 (0.36) PDK2PGRPIK3CDPIK3CAALK
SCHEMBL16809538 0.85 PDK2 (0.32) PDK2PGRALK
SCHEMBL16809599 0.84 PGR (0.35) PDK2PGRALK
SCHEMBL16809798 0.84 CYP1A2 (0.38) PDK2PGRPIK3CDPIK3CAALK
SCHEMBL16809522 0.84 PGR (0.39) PGRPIK3CDPIK3CA
SCHEMBL23937622 0.83 CYP11B1 (0.38) PDK2PGRALK

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
US-9705088-B2 Triazine-based compounds and organic light-emitting devices including triazine-based compounds SAMSUNG DISPLAY CO., LTD. (KR) 2017-07-11 — — US disclosed
US-20150171336-A1 TRIAZINE-BASED COMPOUNDS AND ORGANIC LIGHT-EMITTING DEVICES INCLUDING TRIAZINE-BASED COMPOUNDS SAMSUNG DISPLAY CO., LTD. (KR) 2015-06-18 — — US disclosed
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