SCHEMBL20184703

SCHEMBL20184703

N#Cc1cccc(-c2ncnc3[nH]cc(C(=O)O)c23)c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 13/20 0.53
JAK2 O60674 7/20 0.52
JAK3 P52333 7/20 0.52
MST1 P26927 1/20 0.48
STK4 Q13043 1/20 0.48
STK3 Q13188 1/20 0.48
STK26 Q9P289 1/20 0.48

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
SCHEMBL20184671 0.85 JAK3 (0.52) JAK2JAK3
SCHEMBL15032688 0.84 JAK3 (0.76) JAK2JAK3
SCHEMBL20184531 0.83 JAK3 (0.56) JAK2JAK3
SCHEMBL20184692 0.83 JAK3 (0.70) JAK2JAK3
SCHEMBL20184432 0.82 JAK3 (0.68) JAK2JAK3
SCHEMBL20184385 0.82 JAK3 (0.71) LRRK2JAK2JAK3STK4STK3
SCHEMBL20184458 0.82 JAK3 (0.71) JAK2JAK3
SCHEMBL20184353 0.82 JAK3 (0.55) LRRK2JAK2JAK3STK4STK3
SCHEMBL20184721 0.82 JAK3 (0.73) JAK2JAK3
SCHEMBL20184448 0.82 JAK3 (0.46) JAK2JAK3

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