SCHEMBL12333319

SCHEMBL12333319

O=c1[nH]ccc2nc(O)c3ccc(F)cc3c12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.62
KCNH2 Q12809 1/20 0.56
CHEK1 O14757 2/20 0.50
IKBKB O14920 1/20 0.47
MAPK13 O15264 1/20 0.47
DAPK3 O43293 1/20 0.47
PRKD3 O94806 1/20 0.47
FYN P06241 1/20 0.47
RET P07949 1/20 0.47
HCK P08631 1/20 0.47
PDGFRB P09619 1/20 0.47
PIM1 P11309 1/20 0.47
FGFR1 P11362 1/20 0.47
PDGFRA P16234 1/20 0.47
PRKCA P17252 1/20 0.47
PRKACA P17612 1/20 0.47
FLT1 P17948 1/20 0.47
FGFR2 P21802 1/20 0.47
FGFR4 P22455 1/20 0.47
FGFR3 P22607 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
SCHEMBL12333441 0.83 JAK2 (0.62) JAK2KCNH2CHEK1
SCHEMBL2460323 0.80 JAK2 (0.60) JAK2KCNH2CHEK1IKBKBMAPK13
SCHEMBL2455509 0.80 JAK2 (0.59) JAK2KCNH2CHEK1IKBKBMAPK13
SCHEMBL2459196 0.80 JAK2 (0.67) JAK2KCNH2CHEK1
SCHEMBL2458089 0.80 JAK2 (0.68) JAK2KCNH2CHEK1IKBKBMAPK13
SCHEMBL13297085 0.79 JAK2 (0.55) JAK2KCNH2CHEK1
SCHEMBL2457884 0.79 JAK2 (0.80) JAK2KCNH2CHEK1
SCHEMBL2457731 0.77 JAK2 (1.00) JAK2KCNH2
SCHEMBL2460645 0.77 JAK2 (0.64) JAK2KCNH2CHEK1IKBKBMAPK13
SCHEMBL2458061 0.76 JAK2 (0.64) JAK2KCNH2CHEK1IKBKBMAPK13

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-2134346-B1 INHIBITORS OF JANUS KINASES AND/OR 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 MERCK SHARP & DOHME (US) 2011-09-21 EP disclosed