SCHEMBL28537166

SCHEMBL28537166

CN(C)C1CCN(c2cc(OC(N)=O)c(N)c(C(C)(C)C)c2)CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 2/20 0.36
PLK1 P53350 5/20 0.35
IKBKB O14920 1/20 0.35
EGFR P00533 2/20 0.34
STAT3 P40763 1/20 0.34
ALK Q9UM73 1/20 0.34
SETD2 Q9BYW2 4/20 0.34
DDR1 Q08345 1/20 0.33
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
NSD2 O96028 1/20 0.32
NOTUM Q6P988 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPY5R Q15761 1/20 0.31
GPR119 Q8TDV5 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
SCHEMBL28532037 0.84 ALDH1A1 (0.36)
SCHEMBL28526641 0.82 KDM4E (0.36)
SCHEMBL28537165 0.80 L3MBTL3 (0.36) L3MBTL3IKBKBEGFRL3MBTL1
SCHEMBL28539777 0.79 MAPT (0.40) TMEM97SIGMAR1
SCHEMBL28535183 0.79 LGMN (0.43) L3MBTL3PLK1EGFRSTAT3ALK
SCHEMBL28953572 0.77 L3MBTL3 (0.34) L3MBTL3IKBKBEGFRALKDDR1
SCHEMBL28611481 0.72 L3MBTL3 (0.42) L3MBTL3PLK1IKBKBEGFRALK
SCHEMBL28388910 0.71 NR1H4 (0.36)
SCHEMBL28532473 0.70 L3MBTL3 (0.38) L3MBTL3IKBKBEGFRALKSIGMAR1
SCHEMBL23328575 0.69 SUV39H2 (0.43) PLK1EGFRSTAT3ALK

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
CN-112313207-B Cyano-substituted pyridine and cyano-substituted pyrimidine compounds, and preparation methods and applications thereof 北京赛特明强医药科技有限公司 2023-02-14 CN disclosed
CN-113087671-B Cyano-substituted pyridine and cyano-substituted pyrimidine compounds, and preparation methods and applications thereof 北京赛特明强医药科技有限公司 2022-10-21 CN disclosed
CN-113087671-A Cyano-substituted pyridine and cyano-substituted pyrimidine compounds, and preparation methods and applications thereof 北京赛特明强医药科技有限公司 2021-07-09 CN disclosed
CN-112313207-A Cyano-substituted pyridine and cyano-substituted pyrimidine compounds, and preparation methods and applications thereof 北京赛特明强医药科技有限公司 2021-02-02 CN disclosed