SCHEMBL28973501

SCHEMBL28973501

Clc1ncnc2c1c(I)cn2CC#CC1CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADK P55263 6/20 0.40
SLC29A1 Q99808 1/20 0.40
CHEK1 O14757 1/20 0.33
DYRK3 O43781 1/20 0.33
ROCK2 O75116 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
PHKG2 P15735 1/20 0.33
PRKACA P17612 1/20 0.33
RPS6KB1 P23443 1/20 0.33
MARK3 P27448 1/20 0.33
FLT3 P36888 1/20 0.33
CSNK1A1 P48729 1/20 0.33
CSNK1D P48730 1/20 0.33
CLK2 P49760 1/20 0.33
IRAK1 P51617 1/20 0.33
CSNK1G2 P78368 1/20 0.33
MAP4K2 Q12851 1/20 0.33
ROCK1 Q13464 1/20 0.33
CAMK2G Q13555 1/20 0.33

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
SCHEMBL20162629 0.78 ADK (0.43) ADKSLC29A1CHEK1DYRK3ROCK2
SCHEMBL400113 0.77 ADK (0.44) ADKSLC29A1CHEK1DYRK3ROCK2
SCHEMBL17749198 0.75 ADK (0.42) ADKSLC29A1CHEK1DYRK3ROCK2
SCHEMBL17818406 0.74 ADK (0.41) ADKSLC29A1CHEK1DYRK3ROCK2
SCHEMBL29503417 0.73 ADK (0.46) ADKSLC29A1CHEK1DYRK3ROCK2
SCHEMBL16236999 0.73 ADK (0.46) ADKSLC29A1CHEK1DYRK3ROCK2
SCHEMBL16236456 0.72 ADK (0.43) ADKSLC29A1CHEK1DYRK3ROCK2
SCHEMBL20351626 0.72 ADK (0.42) ADKSLC29A1DYRK3ROCK2PRKD3
SCHEMBL20351559 0.71 ADK (0.40) ADKSLC29A1DYRK3ROCK2PRKD3
SCHEMBL23966901 0.71 ADK (0.48) ADKSLC29A1CHEK1DYRK3ROCK2

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-115850268-A Pyrrolopyrimidines as CFTR potentiators 囊性纤维化基金会 2023-03-28 CN disclosed