SCHEMBL19635681

SCHEMBL19635681

CC1CCC(n2nc(-c3cnn(Cc4ccccc4)c3)c3c(N)ncnc32)CN1C#N

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 15/20 0.54
JAK2 O60674 14/20 0.54
JAK1 P23458 9/20 0.53
TYK2 P29597 6/20 0.48
BTK Q06187 7/20 0.46
EGFR P00533 1/20 0.44
LCK P06239 1/20 0.42
LYN P07948 1/20 0.42
ATR Q13535 1/20 0.42

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
SCHEMBL19635685 0.85 BTK (0.60) JAK3JAK2BTKEGFRLCK
SCHEMBL19635666 0.85 JAK3 (0.72) JAK3JAK2JAK1TYK2BTK
SCHEMBL19635682 0.80 LCK (0.64) JAK3JAK2BTKEGFRLCK
SCHEMBL19635197 0.80 BTK (0.67) BTKEGFRLCKLYN
SCHEMBL28370698 0.80 BTK (0.67) BTKEGFRLCKLYN
SCHEMBL19635199 0.80 BTK (0.67) BTKEGFRLCKLYN
SCHEMBL19635228 0.78 IGF1R (0.47) JAK3JAK2JAK1BTKEGFR
SCHEMBL130641 0.77 PIK3CD (0.60) JAK3EGFR
SCHEMBL28370688 0.76 BTK (0.56) BTKEGFRLCKLYN
SCHEMBL19635195 0.76 BTK (0.56) BTKEGFRLCKLYN

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