SCHEMBL20184471

SCHEMBL20184471

CN(C)C/C=C/C(=O)Nc1cccc(-c2ncnc3[nH]cc(C(=O)O)c23)c1

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 16/20 0.80
JAK2 O60674 4/20 0.62
BTK Q06187 2/20 0.57
ITK Q08881 2/20 0.57
PLCG1 P19174 1/20 0.53
UBE2N P61088 1/20 0.52
JAK1 P23458 1/20 0.51

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
SCHEMBL20184439 0.90 JAK3 (0.68) JAK3JAK2JAK1
SCHEMBL16245069 0.89 JAK3 (1.00) JAK3JAK2JAK1
SCHEMBL15032841 0.89 JAK3 (1.00) JAK3JAK2JAK1
SCHEMBL20184587 0.87 JAK3 (0.81) JAK3JAK2JAK1
SCHEMBL20184714 0.87 JAK3 (0.76) JAK3JAK2JAK1
SCHEMBL20184573 0.87 JAK3 (0.76) JAK3JAK2JAK1
SCHEMBL20184364 0.86 JAK3 (0.77) JAK3JAK2JAK1
SCHEMBL16245266 0.85 JAK3 (0.62) JAK3JAK2BTKITKPLCG1
SCHEMBL16245267 0.85 JAK3 (0.62) JAK3JAK2BTKITKPLCG1
SCHEMBL20184368 0.85 JAK3 (0.80) JAK3JAK2JAK1

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
EP-2788000-B1 PYRROLOPYRIMIDINES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-05-30 EP claimed