SCHEMBL21704952

SCHEMBL21704952

C=CC(=O)N1CCCC(Nc2ncnc3[nH]cc(C4CC4)c23)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 20/20 1.00

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
SCHEMBL16765296 1.00 JAK3 (1.00) JAK3
SCHEMBL21678697 0.97 JAK3 (0.94) JAK3
SCHEMBL21678695 0.97 JAK3 (0.94) JAK3
SCHEMBL20125385 0.88 JAK3 (0.78) JAK3
SCHEMBL16764962 0.88 JAK3 (1.00) JAK3
SCHEMBL16764961 0.88 JAK3 (1.00) JAK3
SCHEMBL21678502 0.88 JAK3 (0.78) JAK3
SCHEMBL21704984 0.88 JAK3 (0.78) JAK3
SCHEMBL16764589 0.87 JAK3 (1.00) JAK3
SCHEMBL16765383 0.87 JAK3 (0.80) 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