SCHEMBL19635196

SCHEMBL19635196

C[C@@H]1CC[C@H](n2nc(-c3ccc(Oc4ccc(Cl)cc4)cc3)c3c(N)ncnc32)CN1C#N

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.56
LCK P06239 4/20 0.56
LYN P07948 1/20 0.56
NUDT14 O95848 1/20 0.55
NUDT5 Q9UKK9 1/20 0.55
SRC P12931 1/20 0.54
KDR P35968 1/20 0.54
TEK Q02763 1/20 0.54
EGFR P00533 2/20 0.51
ITK Q08881 2/20 0.51

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
SCHEMBL28370688 1.00 BTK (0.56) BTKLCKLYNNUDT14NUDT5
SCHEMBL19635195 1.00 BTK (0.56) BTKLCKLYNNUDT14NUDT5
SCHEMBL19635199 0.92 BTK (0.67) BTKLCKLYNNUDT14NUDT5
SCHEMBL28370698 0.92 BTK (0.67) BTKLCKLYNNUDT14NUDT5
SCHEMBL19635197 0.92 BTK (0.67) BTKLCKLYNNUDT14NUDT5
SCHEMBL19635213 0.92 BTK (0.55) BTKLCKLYNNUDT14NUDT5
SCHEMBL19635652 0.92 BTK (0.55) BTKLCKLYNNUDT14NUDT5
SCHEMBL19635214 0.92 BTK (0.55) BTKLCKLYNNUDT14NUDT5
SCHEMBL19635788 0.85 BTK (0.68) BTKLCKLYNNUDT14NUDT5
SCHEMBL19635217 0.85 BTK (0.68) BTKLCKLYNNUDT14NUDT5

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