SCHEMBL28276738

SCHEMBL28276738

C[C@H](Nc1cncnc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ HTR7 P34969 4/20 0.54
▸ ALDH1A1 P00352 1/20 0.51
▸ ROCK1 Q13464 2/20 0.46
▸ AURKB Q96GD4 2/20 0.46
▸ DCLK1 O15075 1/20 0.46
▸ ROCK2 O75116 1/20 0.46
▸ CHEK2 O96017 1/20 0.46
▸ GSK3A P49840 1/20 0.46
▸ GSK3B P49841 1/20 0.46
▸ IRAK1 P51617 1/20 0.46
▸ PRKX P51817 1/20 0.46
▸ NEK4 P51957 1/20 0.46
▸ PLK1 P53350 1/20 0.46
▸ CSNK1G2 P78368 1/20 0.46
▸ CDC42BPA Q5VT25 1/20 0.46
▸ BRSK1 Q8TDC3 1/20 0.46
▸ CLK4 Q9HAZ1 1/20 0.46
▸ STK17A Q9UEE5 1/20 0.46

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
SCHEMBL28276739 1.00 GAA (0.59) GAAKDM4EHTR7ALDH1A1ROCK1
SCHEMBL30780955 0.85 KDM4E (0.69) GAAKDM4EHTR7ALDH1A1ROCK1
SCHEMBL31285656 0.81 KDM4E (0.81) GAAKDM4EHTR7ALDH1A1ROCK1
SCHEMBL1884341 0.79 GAA (0.73) GAAKDM4EHTR7ALDH1A1ROCK1
SCHEMBL6376702 0.79 GAA (0.73) GAAKDM4EHTR7ALDH1A1ROCK1
SCHEMBL5604987 0.79 GAA (0.73) GAAKDM4EHTR7ALDH1A1ROCK1
SCHEMBL9046872 0.78 GAA (0.85) GAAKDM4EHTR7ALDH1A1ROCK1
SCHEMBL26708942 0.78 GAA (0.85) GAAKDM4EHTR7ALDH1A1ROCK1
SCHEMBL22191737 0.78 HTR7 (0.58) GAAKDM4EHTR7ALDH1A1ROCK1
SCHEMBL22191525 0.78 HTR7 (0.58) GAAKDM4EHTR7ALDH1A1ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109384729-A For the hybar X compound of cardiac conditions 迈奥卡迪亚公司 2019-02-26 — — CN disclosed
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