SCHEMBL21704948

SCHEMBL21704948

O=CN1CCCC(Nc2ncnc3[nH]cc(C(=O)C4CCOC4)c23)C1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 15/20 0.53
BTK Q06187 5/20 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
SCHEMBL21705160 0.89 JAK3 (0.58) JAK3BTK
SCHEMBL21678574 0.88 JAK3 (0.57) JAK3BTK
SCHEMBL21678398 0.87 JAK3 (0.72) JAK3BTK
SCHEMBL21678489 0.87 JAK3 (0.72) JAK3BTK
SCHEMBL21678484 0.87 JAK3 (0.72) JAK3BTK
SCHEMBL21678713 0.87 JAK3 (0.72) JAK3BTK
SCHEMBL21701305 0.87 JAK3 (0.57) JAK3BTK
SCHEMBL21704947 0.82 BTK (0.61) JAK3BTK
SCHEMBL21701274 0.82 BTK (0.61) JAK3BTK
Hydrochloric Acid SCHEMBL21678382 0.81 BTK (0.49) 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