SCHEMBL19635217

SCHEMBL19635217

C[C@H]1CC[C@@H](n2nc(-c3ccc(Oc4ccc(F)cc4F)cc3)c3c(N)ncnc32)CN1C#N

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 16/20 0.68
EGFR P00533 6/20 0.49
SRC P12931 4/20 0.49
BMX P51813 1/20 0.49
NR4A3 Q92570 1/20 0.49
KDR P35968 3/20 0.49
PIK3CD O00329 2/20 0.49
ABL1 P00519 2/20 0.49
HCK P08631 2/20 0.49
PIK3CA P42336 2/20 0.49
PIK3CB P42338 2/20 0.49
MTOR P42345 2/20 0.49
PIK3CG P48736 2/20 0.49
EPHB4 P54760 2/20 0.49
PRKDC P78527 2/20 0.49
PI4KB Q9UBF8 2/20 0.49
LCK P06239 2/20 0.49
LYN P07948 1/20 0.49
NUDT14 O95848 1/20 0.48
NUDT5 Q9UKK9 1/20 0.48

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
SCHEMBL19635788 1.00 BTK (0.68) BTKEGFRSRCBMXNR4A3
SCHEMBL19635218 1.00 BTK (0.68) BTKEGFRSRCBMXNR4A3
SCHEMBL28370698 0.85 BTK (0.67) BTKEGFRSRCKDRLCK
SCHEMBL19635197 0.85 BTK (0.67) BTKEGFRSRCKDRLCK
SCHEMBL19635199 0.85 BTK (0.67) BTKEGFRSRCKDRLCK
SCHEMBL19635808 0.85 BTK (0.67) BTKEGFRSRCBMXNR4A3
SCHEMBL19635807 0.85 BTK (0.67) BTKEGFRSRCBMXNR4A3
SCHEMBL19635195 0.85 BTK (0.56) BTKEGFRSRCKDRLCK
SCHEMBL28370688 0.85 BTK (0.56) BTKEGFRSRCKDRLCK
SCHEMBL19635196 0.85 BTK (0.56) BTKEGFRSRCKDRLCK

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