SCHEMBL16809817

SCHEMBL16809817

CC1(C)c2ccccc2-c2cc(-c3nc(-c4ccc(-c5ccc6c(c5)c5cc(C#N)ccc5n6-c5ccccc5)cc4)nc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)n3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 3/20 0.37
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PGR P06401 2/20 0.33
▸ ALK Q9UM73 1/20 0.33
▸ MEN1 O00255 3/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ CYP1A2 P05177 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ CLK4 Q9HAZ1 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ TDP2 O95551 3/20 0.32
▸ MAPK1 P28482 1/20 0.31
▸ ABCG2 Q9UNQ0 4/20 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
SCHEMBL16809771 0.94 PDK2 (0.36) PDK2PIK3CDPIK3CAPGRALK
SCHEMBL16809538 0.93 PDK2 (0.32) PDK2PGRALKMEN1ALDH1A1
SCHEMBL16809798 0.93 CYP1A2 (0.38) PDK2PIK3CDPIK3CAPGRALK
SCHEMBL16809818 0.91 PDK2 (0.35) PDK2PIK3CDPIK3CAPGRALK
SCHEMBL16809820 0.90 CYP11B2 (0.40) PDK2PIK3CDPIK3CAMAPK1ABCG2
SCHEMBL16809508 0.89 PGR (0.38) PDK2PIK3CDPIK3CAPGRALK
SCHEMBL16809797 0.88 TDP2 (0.35) PDK2PIK3CDPIK3CAPGRALK
SCHEMBL16809799 0.88 CYP1A2 (0.34) PDK2PGRALKMEN1ALDH1A1
SCHEMBL8737344 0.86 ABCG2 (0.38) PDK2PGRALKMEN1ALDH1A1
SCHEMBL16809857 0.86 CYP11B2 (0.37) PDK2PGRALKMEN1ALDH1A1

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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