SCHEMBL20184574

SCHEMBL20184574

C=CC(=O)Nc1cc(-c2ncnc3[nH]cc(C(=O)O)c23)ccc1OC

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 18/20 0.79
JAK2 O60674 2/20 0.54
BTK Q06187 1/20 0.49
ROCK2 O75116 1/20 0.46
LIMK1 P53667 1/20 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
SCHEMBL16245250 0.88 JAK3 (1.00) JAK3JAK2
SCHEMBL20184689 0.87 JAK3 (0.78) JAK3JAK2
SCHEMBL20184470 0.86 JAK3 (0.79) JAK3
SCHEMBL20184433 0.85 JAK3 (0.75) JAK3JAK2BTK
SCHEMBL20184585 0.83 JAK3 (0.61) JAK3JAK2BTK
SCHEMBL20184457 0.79 JAK3 (0.77) JAK3JAK2
SCHEMBL16245190 0.77 JAK3 (1.00) JAK3JAK2
SCHEMBL20184720 0.76 JAK3 (0.77) JAK3JAK2BTK
SCHEMBL15032934 0.76 JAK3 (1.00) JAK3JAK2
SCHEMBL20184591 0.76 JAK2 (0.73) JAK3JAK2ROCK2LIMK1

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