SCHEMBL20184469

SCHEMBL20184469

O=C(/C=C/c1c[nH]c2ccccc12)Nc1cccc(-c2ncnc3[nH]cc(C(=O)O)c23)c1

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 18/20 0.78
JAK2 O60674 5/20 0.57
AURKA O14965 1/20 0.49
JAK1 P23458 1/20 0.47

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
SCHEMBL16245380 0.88 JAK3 (1.00) JAK3JAK2JAK1
SCHEMBL15032750 0.88 JAK3 (1.00) JAK3JAK2JAK1
SCHEMBL20184334 0.84 JAK3 (0.64) JAK3JAK2AURKA
SCHEMBL20184558 0.84 JAK3 (0.77) JAK3JAK2JAK1
SCHEMBL20184572 0.84 JAK3 (0.61) JAK3JAK2JAK1
SCHEMBL20184573 0.82 JAK3 (0.76) JAK3JAK2JAK1
SCHEMBL20184714 0.82 JAK3 (0.76) JAK3JAK2JAK1
SCHEMBL15010428 0.82 JAK3 (0.60) JAK3JAK2JAK1
SCHEMBL15010433 0.82 JAK3 (0.60) JAK3JAK2JAK1
SCHEMBL20184485 0.82 JAK3 (0.77) 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