SCHEMBL28878445

SCHEMBL28878445

C[Si](C)(C)Nc1nc2ccc(C(F)(F)F)cc2s1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.64
CSNK1D P48730 13/20 0.57
EPHX2 P34913 1/20 0.56
SCN4A P35499 1/20 0.56
ACP1 P24666 1/20 0.54
CYP2D6 P10635 1/20 0.54
LRRK2 Q5S007 1/20 0.49
CSNK2A2 P19784 1/20 0.47
CSNK2B P67870 1/20 0.47
CSNK2A1 P68400 1/20 0.47
CSNK2A3 Q8NEV1 1/20 0.47

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
SCHEMBL29974674 1.00 DYRK1A (0.64) DYRK1ACSNK1DEPHX2SCN4AACP1
SCHEMBL5683714 0.84 DYRK1A (0.68) DYRK1ACSNK1DEPHX2SCN4AACP1
SCHEMBL2116732 0.81 KDM4E (0.64) DYRK1ACSNK1DEPHX2SCN4AACP1
SCHEMBL8430853 0.81 DYRK1A (0.68) DYRK1ACSNK1DEPHX2SCN4AACP1
SCHEMBL25867794 0.81 DYRK1A (0.63) DYRK1ACSNK1DEPHX2SCN4AACP1
SCHEMBL29974715 0.80 MAPT (0.66) DYRK1ALRRK2
SCHEMBL28878446 0.80 MAPT (0.66) DYRK1ALRRK2
SCHEMBL28878452 0.78 DYRK1A (0.67) DYRK1ACSNK1DSCN4AACP1CSNK2A2
SCHEMBL29975006 0.78 DYRK1A (0.67) DYRK1ACSNK1DSCN4AACP1CSNK2A2
SCHEMBL212708 0.78 DYRK1A (0.63) DYRK1ACSNK1DEPHX2SCN4AACP1

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-115151536-A Antiviral compounds, compositions and methods of use 不列颠哥伦比亚大学 2022-10-04 CN disclosed