SCHEMBL19635682

SCHEMBL19635682

CC1CCC(n2nc(-c3ccc(Nc4ccccc4)cc3)c3c(N)ncnc32)CN1C#N

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 6/20 0.64
SRC P12931 3/20 0.64
TEK Q02763 3/20 0.64
KDR P35968 2/20 0.64
BTK Q06187 11/20 0.50
LYN P07948 1/20 0.50
EGFR P00533 6/20 0.49
ERBB2 P04626 2/20 0.49
IGF1R P08069 2/20 0.49
ERBB3 P21860 2/20 0.49
ERBB4 Q15303 2/20 0.49
NUDT14 O95848 1/20 0.49
NUDT5 Q9UKK9 1/20 0.49
ITK Q08881 2/20 0.47
JAK2 O60674 1/20 0.47
JAK3 P52333 1/20 0.47
RET P07949 1/20 0.47
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46

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
SCHEMBL19635199 0.88 BTK (0.67) LCKSRCTEKKDRBTK
SCHEMBL19635197 0.88 BTK (0.67) LCKSRCTEKKDRBTK
SCHEMBL19635685 0.88 BTK (0.60) LCKSRCTEKKDRBTK
SCHEMBL28370698 0.88 BTK (0.67) LCKSRCTEKKDRBTK
SCHEMBL19635195 0.82 BTK (0.56) LCKSRCTEKKDRBTK
SCHEMBL19635196 0.82 BTK (0.56) LCKSRCTEKKDRBTK
SCHEMBL28370688 0.82 BTK (0.56) LCKSRCTEKKDRBTK
SCHEMBL19635681 0.80 JAK3 (0.54) LCKBTKLYNEGFRJAK2
SCHEMBL19635228 0.79 IGF1R (0.47) LCKBTKEGFRERBB2IGF1R
SCHEMBL5786266 0.78 SRC (1.00) LCKSRCTEKKDRBTK

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