SCHEMBL28523404

SCHEMBL28523404

Brc1ccc(-c2cncc3c2[nH]c2ccncc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.44
KIT P10721 1/20 0.43
MAPT P10636 6/20 0.42
CHUK O15111 1/20 0.42
PARP1 P09874 1/20 0.40
KIF11 P52732 1/20 0.39
PDE10A Q9Y233 2/20 0.38
DHODH Q02127 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
MAPK14 Q16539 1/20 0.38
SLC22A12 Q96S37 1/20 0.37
IMPDH2 P12268 1/20 0.37

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
SCHEMBL14134018 0.72 CHUK (0.65) ACHEKITMAPTCHUKPARP1
SCHEMBL12166058 0.70 CHUK (0.77) ACHEKITMAPTCHUKPARP1
SCHEMBL29635064 0.70 CHUK (0.77) ACHEKITMAPTCHUKPARP1
SCHEMBL29642993 0.70 ACHE (0.78) ACHEMAPTCHUKPARP1KIF11
SCHEMBL972999 0.70 ACHE (0.78) ACHEMAPTCHUKPARP1KIF11
SCHEMBL18162722 0.70 CYP11B1 (0.50) DHODHSLC22A12
SCHEMBL23098918 0.68 ACHE (0.58) ACHEKITMAPTCHUKPARP1
SCHEMBL9251358 0.68 CLK2 (0.54) CHUKMAPK14
SCHEMBL20020113 0.66 SLC22A12 (0.44) MAPTGSK3AGSK3BCDK5MAPK14
SCHEMBL27199799 0.66 ACHE (0.50) ACHEKITMAPTCHUKPARP1

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
CN-112390778-B Heteroanthracene derivative, application thereof and organic electroluminescent device 武汉尚赛光电科技有限公司 2022-03-22 CN disclosed
CN-112390778-A Heteroanthracene derivative, application thereof and organic electroluminescent device 武汉尚赛光电科技有限公司 2021-02-23 CN disclosed