SCHEMBL21705140

SCHEMBL21705140

CC(C)(C)OC(=O)N1CCCC(Nc2ncnc3[nH]cc(C4CCCC4)c23)C1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 16/20 0.67
BTK Q06187 2/20 0.61
IRAK4 Q9NWZ3 2/20 0.53

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
SCHEMBL21701310 1.00 JAK3 (0.67) JAK3BTKIRAK4
SCHEMBL21704983 0.88 BTK (0.58) JAK3BTK
SCHEMBL30046371 0.88 BTK (0.58) JAK3BTK
SCHEMBL21701349 0.88 BTK (0.58) JAK3BTK
SCHEMBL21701264 0.86 BTK (0.67) JAK3BTK
SCHEMBL21704903 0.86 BTK (0.67) JAK3BTK
SCHEMBL21678464 0.86 JAK3 (0.75) JAK3IRAK4
SCHEMBL21678465 0.86 JAK3 (0.75) JAK3IRAK4
SCHEMBL21701293 0.85 JAK3 (0.61) JAK3BTK
SCHEMBL21705070 0.85 BTK (0.68) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020033955-A1 PYRROLOPYRIMIDINE ITK INHIBITORS ACLARIS THERAPEUTICS, INC. (US) 2020-02-13 WO disclosed