SCHEMBL19635685

SCHEMBL19635685

CC1CCC(n2nc(-c3ccc(Cc4ccccc4)cc3)c3c(N)ncnc32)CN1C#N

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BTK Q06187 12/20 0.60
EGFR P00533 6/20 0.50
LCK P06239 5/20 0.50
LYN P07948 1/20 0.50
NUDT14 O95848 1/20 0.49
NUDT5 Q9UKK9 1/20 0.49
SRC P12931 3/20 0.49
TEK Q02763 3/20 0.49
KDR P35968 2/20 0.49
IGF1R P08069 2/20 0.48
JAK2 O60674 1/20 0.47
JAK3 P52333 1/20 0.47
ERBB2 P04626 1/20 0.46
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
PIK3CG P48736 1/20 0.46
PRKDC P78527 1/20 0.46
ITK Q08881 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
SCHEMBL28370698 0.88 BTK (0.67) BTKEGFRLCKLYNNUDT14
SCHEMBL19635682 0.88 LCK (0.64) BTKEGFRLCKLYNNUDT14
SCHEMBL19635197 0.88 BTK (0.67) BTKEGFRLCKLYNNUDT14
SCHEMBL19635199 0.88 BTK (0.67) BTKEGFRLCKLYNNUDT14
SCHEMBL19635681 0.85 JAK3 (0.54) BTKEGFRLCKLYNJAK2
SCHEMBL19635228 0.84 IGF1R (0.47) BTKEGFRLCKIGF1RJAK2
SCHEMBL19635195 0.82 BTK (0.56) BTKEGFRLCKLYNNUDT14
SCHEMBL19635196 0.82 BTK (0.56) BTKEGFRLCKLYNNUDT14
SCHEMBL28370688 0.82 BTK (0.56) BTKEGFRLCKLYNNUDT14
SCHEMBL19635213 0.78 BTK (0.55) BTKEGFRLCKLYNNUDT14

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