SCHEMBL20177261

SCHEMBL20177261

C=CC(=O)N1C[C@@H](n2nc(-c3ccc(Oc4ccccc4)nc3)c3c(N)ncnc32)CCC1C

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.77
BLK P51451 3/20 0.65
ITK Q08881 3/20 0.63
FGR P09769 2/20 0.63
FLT3 P36888 2/20 0.63
CSK P41240 2/20 0.63
JAK3 P52333 2/20 0.63
EGFR P00533 3/20 0.62
TEC P42680 3/20 0.62
BMX P51813 3/20 0.62
TXK P42681 2/20 0.62
LYN P07948 2/20 0.62
FGFR2 P21802 2/20 0.62
RIPK2 O43353 1/20 0.62
NR1I2 O75469 1/20 0.62
SLC22A3 O75751 1/20 0.62
LATS1 O95835 1/20 0.62
NUDT14 O95848 1/20 0.62
ABL1 P00519 1/20 0.62
ERBB2 P04626 1/20 0.62

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
SCHEMBL19635194 0.90 BTK (0.69) BTKBLKITKFGRFLT3
SCHEMBL19635188 0.90 BTK (0.69) BTKBLKITKFGRFLT3
SCHEMBL21330628 0.87 BTK (1.00) BTKBLKITKFGRFLT3
SCHEMBL20177256 0.87 BTK (1.00) BTKBLKITKFGRFLT3
SCHEMBL21330630 0.86 BTK (0.91) BTKBLKITKFGRFLT3
SCHEMBL21338838 0.86 BTK (0.91) BTKBLKITKFGRFLT3
SCHEMBL20177281 0.86 BTK (0.91) BTKBLKITKFGRFLT3
SCHEMBL20144255 0.85 BTK (0.91) BTKBLKITKFGRFLT3
SCHEMBL16074979 0.82 BTK (1.00) BTKBLKEGFR
SCHEMBL19635229 0.82 EGFR (0.63) BTKBLKITKFGRFLT3

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
WO-2018090792-A1 SELECTIVE BRUTON'S TYROSINE KINASE INHIBITOR AND USE THEREOF 杭州和正医药有限公司 2018-05-24 WO disclosed