SCHEMBL21704938

SCHEMBL21704938

C=CC(=O)N1CCCC(Nc2ncnc3[nH]cc(C(=O)OCC)c23)C1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 19/20 0.77
BTK Q06187 1/20 0.64

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
SCHEMBL21701260 1.00 JAK3 (0.77) JAK3BTK
SCHEMBL16764802 0.87 JAK3 (1.00) JAK3
SCHEMBL16764800 0.87 JAK3 (1.00) JAK3
SCHEMBL16765494 0.87 JAK3 (1.00) JAK3BTK
SCHEMBL21705093 0.86 JAK3 (0.57) JAK3BTK
SCHEMBL21704936 0.86 BTK (0.65) JAK3BTK
SCHEMBL21701257 0.86 BTK (0.65) JAK3BTK
SCHEMBL21678532 0.86 JAK3 (0.84) JAK3BTK
SCHEMBL21678535 0.86 JAK3 (0.84) JAK3BTK
SCHEMBL31070078 0.86 JAK3 (0.56) JAK3BTK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112823005-A Pyrrolopyrimidine ITK inhibitors 阿克拉瑞斯治疗股份有限公司 2021-05-18 CN disclosed
WO-2020033955-A1 PYRROLOPYRIMIDINE ITK INHIBITORS ACLARIS THERAPEUTICS, INC. (US) 2020-02-13 WO disclosed