SCHEMBL21704983

SCHEMBL21704983

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

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.58
JAK3 P52333 18/20 0.56

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
SCHEMBL30046371 1.00 BTK (0.58) BTKJAK3
SCHEMBL21701349 1.00 BTK (0.58) BTKJAK3
SCHEMBL21701310 0.88 JAK3 (0.67) BTKJAK3
SCHEMBL21705140 0.88 JAK3 (0.67) BTKJAK3
SCHEMBL21678383 0.87 JAK3 (0.62) JAK3
SCHEMBL21704984 0.84 JAK3 (0.78) JAK3
SCHEMBL21678502 0.84 JAK3 (0.78) JAK3
SCHEMBL21705135 0.83 BTK (0.60) BTKJAK3
SCHEMBL21701292 0.83 BTK (0.60) BTKJAK3
SCHEMBL30046395 0.83 BTK (0.60) 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