SCHEMBL19256938

SCHEMBL19256938

C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(-c4cccc(C(N)=O)n4)s3)c3c(N)ncnc32)C1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.69
ITK Q08881 10/20 0.63
TEC P42680 3/20 0.63
BMX P51813 3/20 0.63
BTK Q06187 3/20 0.63
TXK P42681 2/20 0.63
LYN P07948 2/20 0.63
FGFR2 P21802 2/20 0.63
RIPK2 O43353 1/20 0.63
NR1I2 O75469 1/20 0.63
SLC22A3 O75751 1/20 0.63
LATS1 O95835 1/20 0.63
NUDT14 O95848 1/20 0.63
ABL1 P00519 1/20 0.63
ERBB2 P04626 1/20 0.63
LCK P06239 1/20 0.63
FYN P06241 1/20 0.63
PGR P06401 1/20 0.63
CSF1R P07333 1/20 0.63
YES1 P07947 1/20 0.63

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
SCHEMBL28517739 1.00 EGFR (0.69) EGFRITKTECBMXBTK
SCHEMBL28528830 0.91 EGFR (0.67) EGFRITKBMXBTKHCK
SCHEMBL19257245 0.91 EGFR (0.67) EGFRITKBMXBTKHCK
SCHEMBL28530444 0.89 EGFR (0.64) EGFRITKTECBMXBTK
SCHEMBL19256939 0.89 EGFR (0.64) EGFRITKTECBMXBTK
SCHEMBL28517859 0.88 EGFR (0.72) EGFRITKTECBMXBTK
SCHEMBL28519518 0.88 EGFR (0.72) EGFRITKTECBMXBTK
SCHEMBL19256759 0.88 EGFR (0.72) EGFRITKTECBMXBTK
SCHEMBL19257158 0.88 EGFR (0.82) EGFRITKTECBMXBTK
SCHEMBL19256914 0.88 EGFR (0.82) EGFRITKTECBMXBTK

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 3 patents. 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 claimed
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
WO-2017133630-A1 INHIBITOR OF BRUTON'S TYROSINE KINASE 北京盛诺基医药科技有限公司 2017-08-10 WO disclosed