SCHEMBL20184385

SCHEMBL20184385

O=C(O)c1c[nH]c2ncnc(-c3cccc(Cl)c3)c12

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 16/20 0.71
JAK2 O60674 12/20 0.71
KMO O15229 1/20 0.50
STK4 Q13043 3/20 0.49
STK3 Q13188 3/20 0.49
JAK1 P23458 1/20 0.47
LRRK2 Q5S007 2/20 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
SCHEMBL20184531 0.86 JAK3 (0.56) JAK3JAK2JAK1
SCHEMBL20184692 0.86 JAK3 (0.70) JAK3JAK2JAK1
SCHEMBL20184432 0.85 JAK3 (0.68) JAK3JAK2
SCHEMBL20184458 0.85 JAK3 (0.71) JAK3JAK2KMOJAK1
SCHEMBL20184353 0.85 JAK3 (0.55) JAK3JAK2STK4STK3JAK1
SCHEMBL20184721 0.85 JAK3 (0.73) JAK3JAK2JAK1
SCHEMBL20184363 0.84 JAK3 (0.55) JAK3JAK2
SCHEMBL16245466 0.83 JAK3 (1.00) JAK3JAK2JAK1
SCHEMBL20184454 0.83 JAK3 (0.70) JAK3JAK2
SCHEMBL20184703 0.82 LRRK2 (0.53) JAK3JAK2STK4STK3LRRK2

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