SCHEMBL21704935

SCHEMBL21704935

CC(C)(C)OC(=O)N1CCCC(Nc2ncnc3[nH]cc(CC4CCCC4)c23)C1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 18/20 0.61
BTK Q06187 2/20 0.59

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
SCHEMBL21701293 1.00 JAK3 (0.61) JAK3BTK
SCHEMBL21704957 0.98 JAK3 (0.61) JAK3BTK
SCHEMBL21701287 0.98 JAK3 (0.61) JAK3BTK
SCHEMBL21701282 0.97 JAK3 (0.61) JAK3BTK
SCHEMBL21705167 0.97 JAK3 (0.61) JAK3BTK
SCHEMBL16765329 0.89 JAK3 (0.72) JAK3BTK
SCHEMBL16765330 0.89 JAK3 (0.72) JAK3BTK
SCHEMBL16765640 0.89 JAK3 (0.77) JAK3BTK
SCHEMBL16765641 0.89 JAK3 (0.77) JAK3BTK
SCHEMBL21701281 0.88 JAK3 (0.67) JAK3

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