SCHEMBL20184433

SCHEMBL20184433

C=CC(=O)Nc1cc(-c2ncnc3[nH]cc(C(=O)O)c23)ccc1Cl

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 18/20 0.75
JAK2 O60674 3/20 0.52
BTK Q06187 2/20 0.46
ITK Q08881 2/20 0.46

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
SCHEMBL20184689 0.88 JAK3 (0.78) JAK3JAK2
SCHEMBL15032934 0.86 JAK3 (1.00) JAK3JAK2
SCHEMBL20184574 0.85 JAK3 (0.79) JAK3JAK2BTK
SCHEMBL20184571 0.85 JAK3 (0.77) JAK3
SCHEMBL20184601 0.82 JAK3 (0.59) JAK3JAK2BTKITK
SCHEMBL20184457 0.81 JAK3 (0.77) JAK3JAK2
SCHEMBL20184596 0.80 JAK3 (0.71) JAK3JAK2
SCHEMBL20184385 0.77 JAK3 (0.71) JAK3JAK2
SCHEMBL20184720 0.76 JAK3 (0.77) JAK3JAK2BTKITK
SCHEMBL20184363 0.76 JAK3 (0.55) JAK3JAK2

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