SCHEMBL21705093

SCHEMBL21705093

CCOC(=O)c1c[nH]c2ncnc(NC3CCCN(C=O)C3)c12

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 18/20 0.57
BTK Q06187 2/20 0.50

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
SCHEMBL31070078 0.92 JAK3 (0.56) JAK3BTK
SCHEMBL21701260 0.86 JAK3 (0.77) JAK3BTK
SCHEMBL21704938 0.86 JAK3 (0.77) JAK3BTK
SCHEMBL21704936 0.83 BTK (0.65) JAK3BTK
SCHEMBL21701257 0.83 BTK (0.65) JAK3BTK
SCHEMBL21705160 0.83 JAK3 (0.58) JAK3BTK
SCHEMBL21705061 0.81 JAK3 (0.50) JAK3BTK
SCHEMBL21701320 0.81 JAK3 (0.50) JAK3BTK
SCHEMBL21678374 0.80 JAK3 (0.77) JAK3BTK
SCHEMBL21704948 0.78 JAK3 (0.53) 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