SCHEMBL19635797

SCHEMBL19635797

N#CN1CCC[C@@H](n2nc(-c3ccc(Oc4ccc(Cl)cc4)cc3)c3c(N)ncnc32)C1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.64
JAK3 P52333 2/20 0.64
BTK Q06187 18/20 0.64
EGFR P00533 3/20 0.64
SRC P12931 1/20 0.64
LCK P06239 2/20 0.62
LYN P07948 1/20 0.62
ITK Q08881 1/20 0.58

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
SCHEMBL19636023 1.00 JAK2 (0.64) JAK2JAK3BTKEGFRSRC
SCHEMBL17479775 0.92 BTK (0.74) JAK3BTKEGFRSRCLCK
SCHEMBL19636020 0.92 BTK (0.68) JAK2JAK3BTKEGFRSRC
SCHEMBL19635789 0.92 BTK (0.68) JAK2JAK3BTKEGFRSRC
SCHEMBL18235547 0.87 BTK (0.66) JAK3BTKEGFRSRCLCK
SCHEMBL17479836 0.86 BTK (0.72) BTKEGFRSRCLCKLYN
SCHEMBL17479837 0.86 BTK (0.72) BTKEGFRSRCLCKLYN
SCHEMBL19635793 0.86 BTK (0.61) JAK2JAK3BTKEGFRLCK
SCHEMBL19635799 0.86 BTK (0.61) JAK2JAK3BTKEGFRLCK
SCHEMBL19635798 0.86 BTK (0.61) JAK2JAK3BTKEGFRLCK

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 4 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
WO-2017198049-A1 PYRAZOLOPYRIMIDINE DERIVATIVE AS BTK INHIBITOR AND PREPARATION METHOD AND PHARMACEUTICAL COMPOSITION THEREOF 浙江予川医药科技有限公司 2017-11-23 WO disclosed