SCHEMBL28512491

SCHEMBL28512491

C=CC(=O)N1CCCC(n2nc(-c3ccc(C(=O)Nc4ccccn4)s3)c3c(N)ncnc32)C1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.65
BTK Q06187 5/20 0.60
JAK3 P52333 2/20 0.60
ITK Q08881 8/20 0.60
TEC P42680 3/20 0.59
BMX P51813 3/20 0.59
TXK P42681 2/20 0.59
LYN P07948 2/20 0.59
FGFR2 P21802 2/20 0.59
RIPK2 O43353 1/20 0.59
NR1I2 O75469 1/20 0.59
SLC22A3 O75751 1/20 0.59
LATS1 O95835 1/20 0.59
NUDT14 O95848 1/20 0.59
ABL1 P00519 1/20 0.59
ERBB2 P04626 1/20 0.59
LCK P06239 1/20 0.59
FYN P06241 1/20 0.59
PGR P06401 1/20 0.59
CSF1R P07333 1/20 0.59

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
SCHEMBL19257299 1.00 EGFR (0.65) EGFRBTKJAK3ITKTEC
SCHEMBL19256932 0.91 EGFR (0.69) EGFRBTKJAK3ITKTEC
SCHEMBL19256930 0.89 ITK (0.62) EGFRBTKJAK3ITKKCNH2
SCHEMBL28516121 0.89 ITK (0.62) EGFRBTKJAK3ITKKCNH2
SCHEMBL19256931 0.88 EGFR (0.67) EGFRBTKJAK3ITKTEC
SCHEMBL19257307 0.88 ITK (0.64) EGFRBTKJAK3ITKKCNH2
SCHEMBL28512469 0.88 EGFR (0.67) EGFRBTKJAK3ITKTEC
SCHEMBL19257300 0.88 ITK (0.61) EGFRBTKITKKCNH2
SCHEMBL28520057 0.88 ITK (0.61) EGFRBTKITKKCNH2
SCHEMBL28519894 0.88 ITK (0.64) EGFRBTKJAK3ITKKCNH2

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-108602834-B Bruton's tyrosine kinase inhibitor 北京盛诺基医药科技股份有限公司 2021-01-08 CN disclosed