SCHEMBL21704947

SCHEMBL21704947

CC(C)(C)OC(=O)N1CCCC(Nc2ncnc3[nH]cc(C(=O)C4CCOC4)c23)C1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BTK Q06187 6/20 0.61
JAK3 P52333 14/20 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
SCHEMBL21701274 1.00 BTK (0.61) BTKJAK3
SCHEMBL21701262 0.91 BTK (0.68) BTKJAK3
SCHEMBL21705070 0.91 BTK (0.68) BTKJAK3
SCHEMBL21704903 0.90 BTK (0.67) BTKJAK3
SCHEMBL21701264 0.90 BTK (0.67) BTKJAK3
SCHEMBL21701305 0.88 JAK3 (0.57) BTKJAK3
SCHEMBL21678574 0.88 JAK3 (0.57) BTKJAK3
SCHEMBL21678398 0.85 JAK3 (0.72) BTKJAK3
SCHEMBL21678489 0.85 JAK3 (0.72) BTKJAK3
SCHEMBL21678713 0.85 JAK3 (0.72) BTKJAK3

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