SCHEMBL28535183

SCHEMBL28535183

CN(C)C1CCN(c2ccc(N)c(OC(N)=O)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 2/20 0.43
L3MBTL3 Q96JM7 2/20 0.43
EGFR P00533 4/20 0.41
ALK Q9UM73 2/20 0.41
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
PLK1 P53350 6/20 0.39
IP6K1 Q92551 1/20 0.38
STAT3 P40763 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
NSD2 O96028 1/20 0.36
SETD2 Q9BYW2 1/20 0.36
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR4 P22455 1/20 0.36
FGFR3 P22607 1/20 0.36

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
SCHEMBL23581265 0.84 LGMN (0.39) LGMNL3MBTL3EGFRALKTMEM97
SCHEMBL29661369 0.83 SUV39H2 (0.45) EGFRALKPLK1STAT3
SCHEMBL310055 0.83 SUV39H2 (0.45) EGFRALKPLK1STAT3
Hydrochloric Acid SCHEMBL29367159 0.82 SUV39H2 (0.44) EGFRALKPLK1STAT3
SCHEMBL28751702 0.80 MAPT (0.55) IP6K1
SCHEMBL28542734 0.80 IP6K1 (0.55) IP6K1L3MBTL1
SCHEMBL28603306 0.80 ALK (0.45) LGMNL3MBTL3EGFRALKSTAT3
SCHEMBL1783282 0.80 MAPT (0.45) LGMNEGFRALKTMEM97SIGMAR1
SCHEMBL1912008 0.80 ALK (0.43) LGMNEGFRALK
SCHEMBL28537166 0.79 L3MBTL3 (0.36) L3MBTL3EGFRALKTMEM97SIGMAR1

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