SCHEMBL20184499

SCHEMBL20184499

NC(=O)c1ccc(-c2ncnc3[nH]cc(C(=O)O)c23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 0.54
JAK3 P52333 13/20 0.54
PIM1 P11309 3/20 0.50
PIM3 Q86V86 2/20 0.50
PIM2 Q9P1W9 2/20 0.50
ROCK2 O75116 3/20 0.49
CDC7 O00311 2/20 0.49
MAP4K4 O95819 2/20 0.49
PRKACA P17612 2/20 0.49
CDK2 P24941 2/20 0.49
GSK3B P49841 2/20 0.49
HIPK2 Q9H2X6 2/20 0.49
CLK4 Q9HAZ1 1/20 0.49
IRAK4 Q9NWZ3 1/20 0.49
PLK4 O00444 1/20 0.48
CHEK1 O14757 1/20 0.48
MAPK13 O15264 1/20 0.48
PDPK1 O15530 1/20 0.48
DAPK3 O43293 1/20 0.48
DYRK3 O43781 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
SCHEMBL20184553 0.86 JAK2 (0.67) JAK2JAK3ROCK2LIMK1
SCHEMBL20184454 0.86 JAK3 (0.70) JAK2JAK3ROCK2LIMK1
SCHEMBL20184346 0.86 JAK2 (0.67) JAK2JAK3ROCK2LIMK1
SCHEMBL20184432 0.86 JAK3 (0.68) JAK2JAK3ROCK2LIMK1
SCHEMBL20184476 0.86 JAK3 (0.60) JAK2JAK3
SCHEMBL20184353 0.86 JAK3 (0.55) JAK2JAK3PIM1PIM3ROCK2
SCHEMBL20184701 0.85 JAK2 (0.61) JAK2JAK3ROCK2ROCK1LIMK1
SCHEMBL20184686 0.85 JAK3 (0.55) JAK2JAK3ROCK2ROCK1LIMK1
SCHEMBL20184363 0.85 JAK3 (0.55) JAK2JAK3ROCK2ROCK1LIMK1
SCHEMBL20184511 0.85 JAK3 (0.54) JAK2JAK3ROCK2ROCK1LIMK1

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