SCHEMBL1704539

SCHEMBL1704539

Nc1cc(-c2nc(N)ccc2-c2cnccn2)ccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 3/20 0.51
PIM1 P11309 1/20 0.46
PIM3 Q86V86 1/20 0.46
PIM2 Q9P1W9 1/20 0.46
ALOX5AP P20292 3/20 0.41
FEN1 P39748 3/20 0.41
DYRK1A Q13627 4/20 0.41
MAPT P10636 2/20 0.40
KCNH2 Q12809 2/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PI4KA P42356 1/20 0.38
PIK3CG P48736 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
HSP90AA1 P07900 1/20 0.38
PIK3C3 Q8NEB9 1/20 0.38
LATS1 O95835 2/20 0.38
LATS2 Q9NRM7 2/20 0.38
GSK3B P49841 1/20 0.36

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
SCHEMBL901793 0.87 ADORA2B (0.55) ADORA2BPIM1PIM3PIM2ALOX5AP
SCHEMBL1704888 0.80 MEN1 (0.50) ADORA2BPIM1DYRK1A
SCHEMBL28684286 0.80 DYRK1A (0.50) PIM1PIM3PIM2ALOX5APFEN1
SCHEMBL29602147 0.80 DYRK1A (0.50) PIM1PIM3PIM2ALOX5APFEN1
SCHEMBL15436237 0.75 PIM1 (0.45) ADORA2BPIM1PIM3PIM2ALOX5AP
Hydrochloric Acid SCHEMBL27850418 0.73 PIM1 (0.44) ADORA2BPIM1PIM3PIM2ALOX5AP
Hydrochloric Acid SCHEMBL15436253 0.73 PIM1 (0.44) ADORA2BPIM1PIM3PIM2ALOX5AP
SCHEMBL901619 0.71 ADORA2B (0.58) ADORA2BMAPTADORA2A
SCHEMBL4053436 0.70 ADORA2B (0.60) ADORA2BPIM1ALOX5APFEN1DYRK1A
SCHEMBL22334571 0.68 PIK3CD (0.45) PIM1PIM3PIM2ALOX5APFEN1

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-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP claimed