SCHEMBL16809820

SCHEMBL16809820

CC1(C)c2ccccc2-c2cc(-c3nc(-c4ccc(-c5ccc6c(c5)c5cc(C#N)ccc5n6-c5ccc(-c6cccnc6)cc5)cc4)nc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)n3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 7/20 0.40
▸ CYP11B1 P15538 5/20 0.40
▸ CYP17A1 P05093 1/20 0.40
▸ FLT3 P36888 2/20 0.37
▸ PDK2 Q15119 3/20 0.36
▸ ABCG2 Q9UNQ0 2/20 0.34
▸ CYP19A1 P11511 1/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNA5 P30532 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ NEK1 Q96PY6 1/20 0.32
▸ STK10 O94804 1/20 0.32
▸ SLK Q9H2G2 1/20 0.32

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 0.90 PDK2 (0.37) PDK2ABCG2PIK3CDPIK3CAMAPK1
SCHEMBL16809857 0.89 CYP11B2 (0.37) CYP11B2CYP11B1CYP17A1PDK2ABCG2
SCHEMBL16809818 0.87 PDK2 (0.35) PDK2PIK3CDPIK3CA
SCHEMBL16557960 0.86 FLT3 (0.40) CYP11B2CYP11B1CYP17A1FLT3PDK2
SCHEMBL16809508 0.85 PGR (0.38) PDK2ABCG2PIK3CDPIK3CAMAPK1
SCHEMBL16809798 0.85 CYP1A2 (0.38) PDK2ABCG2PIK3CDPIK3CAMAPK1
SCHEMBL16809771 0.85 PDK2 (0.36) PDK2PIK3CDPIK3CAMAPK1
SCHEMBL16809512 0.84 CYP11B2 (0.50) CYP11B2CYP11B1CYP17A1FLT3ABCG2
SCHEMBL16809528 0.84 CYP11B2 (0.53) CYP11B2CYP11B1CYP17A1FLT3ABCG2
SCHEMBL16809538 0.84 PDK2 (0.32) PDK2ABCG2MAPK1

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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