SCHEMBL28370673

SCHEMBL28370673

Nc1ncnc2c1c(-c1ccc(Oc3ccc(Cl)cn3)cc1)nn2[C@@H]1CCCN(C(=O)O)C1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.76
BLK P51451 4/20 0.68
ITK Q08881 3/20 0.68
FGR P09769 2/20 0.68
FLT3 P36888 2/20 0.68
CSK P41240 2/20 0.68
JAK3 P52333 2/20 0.68
EGFR P00533 3/20 0.65
TEC P42680 3/20 0.65
BMX P51813 3/20 0.65
TXK P42681 2/20 0.65
LYN P07948 2/20 0.65
FGFR2 P21802 2/20 0.65
RIPK2 O43353 1/20 0.65
NR1I2 O75469 1/20 0.65
SLC22A3 O75751 1/20 0.65
LATS1 O95835 1/20 0.65
NUDT14 O95848 1/20 0.65
ABL1 P00519 1/20 0.65
ERBB2 P04626 1/20 0.65

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
SCHEMBL28370674 1.00 BTK (0.76) BTKBLKITKFGRFLT3
SCHEMBL19635796 0.90 BTK (0.77) BTKBLKITKFGRFLT3
SCHEMBL19635809 0.88 BTK (0.75) BTKBLKITKJAK3EGFR
SCHEMBL19636022 0.88 BTK (0.75) BTKBLKITKJAK3EGFR
SCHEMBL16931733 0.87 BTK (0.85) BTKBLKITKFGRFLT3
SCHEMBL18095743 0.87 BTK (0.85) BTKBLKITKFGRFLT3
SCHEMBL21330632 0.86 BTK (1.00) BTKBLKITKFGRFLT3
SCHEMBL19635789 0.85 BTK (0.68) BTKBLKITKFGRFLT3
SCHEMBL19636020 0.85 BTK (0.68) BTKBLKITKFGRFLT3
SCHEMBL15515676 0.83 BTK (0.74) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111153906-B Pyrazolopyrimidine derivatives as BTK inhibitors, process for their preparation and pharmaceutical compositions containing them 苏州信诺维医药科技有限公司 2020-09-11 CN disclosed
CN-111153906-A Pyrazolopyrimidine derivatives as BTK inhibitors, process for their preparation and pharmaceutical compositions containing them 苏州信诺维医药科技有限公司 2020-05-15 CN disclosed
CN-107383013-B Pyrazolopyrimidine derivatives as BTK inhibitors, process for their preparation and pharmaceutical compositions containing them 苏州信诺维医药科技有限公司 2020-03-31 CN disclosed