SCHEMBL29800563

SCHEMBL29800563

CC1(C)c2ccccc2-c2c(N)cccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.54
ALDH1A1 P00352 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ADORA2A P29274 4/20 0.42
PTPRC P08575 1/20 0.42
MAOA P21397 2/20 0.42
CSNK1A1 P48729 2/20 0.42
CSNK1D P48730 2/20 0.42
CSNK1G1 Q9HCP0 2/20 0.42
FGR P09769 1/20 0.42
PIM1 P11309 1/20 0.42
DYRK1A Q13627 1/20 0.42
HIPK2 Q9H2X6 1/20 0.42
GRK6 P43250 1/20 0.41
HSD17B10 Q99714 1/20 0.40
HTR2A P28223 2/20 0.38
MLNR O43193 1/20 0.38
NR1I2 O75469 1/20 0.38
CHRM2 P08172 1/20 0.38
ADRB1 P08588 1/20 0.38

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
SCHEMBL29531659 1.00 PDK2 (0.54) PDK2ALDH1A1L3MBTL1ADORA2APTPRC
SCHEMBL13486726 1.00 PDK2 (0.54) PDK2ALDH1A1L3MBTL1ADORA2APTPRC
SCHEMBL18847889 0.90 ALDH1A1 (0.50) PDK2ALDH1A1L3MBTL1ADORA2APTPRC
SCHEMBL19113478 0.82 PDK2 (0.56) PDK2HTR2AMLNRNR1I2CHRM2
SCHEMBL17690005 0.80 PDK2 (0.44) PDK2ALDH1A1L3MBTL1ADORA2APTPRC
SCHEMBL28230150 0.79 PDK2 (0.39) PDK2ALDH1A1L3MBTL1ADORA2AMAOA
SCHEMBL23637475 0.78 PDK2 (0.45) PDK2L3MBTL1HTR2AMLNRNR1I2
SCHEMBL29771223 0.78 PDK2 (0.45) PDK2L3MBTL1HTR2AMLNRNR1I2
SCHEMBL19847541 0.78 PDK2 (0.49) PDK2ALDH1A1L3MBTL1ADORA2APTPRC
SCHEMBL17726793 0.78 ALDH1A1 (0.48) PDK2ALDH1A1L3MBTL1ADORA2APTPRC

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116283725-B Aromatic amine substituted dibenzofive-membered ring compound and application thereof 烟台显华科技集团股份有限公司 2025-06-24 CN disclosed
CN-112442012-B Compound and application thereof and device containing compound 北京鼎材科技有限公司 2024-03-29 CN disclosed
CN-115028623-B Arylamine compound and application thereof in organic electronic device 广州追光科技有限公司 2024-01-05 CN disclosed
CN-112442037-B Luminescent material and application thereof 北京鼎材科技有限公司 2023-09-05 CN disclosed
CN-116283725-A Aromatic amine substituted dibenzofive-membered ring compound and application thereof 烟台显华科技集团股份有限公司 2023-06-23 CN disclosed
CN-115028623-A Arylamine compound and application thereof in organic electronic device 广州追光科技有限公司 2022-09-09 CN disclosed