SCHEMBL3666467

SCHEMBL3666467

CC(Nc1nc(F)c(F)cc1[N+](=O)[O-])c1ncc(F)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.39
JAK3 P52333 8/20 0.39
NTRK1 P04629 4/20 0.39
AURKB Q96GD4 3/20 0.37
CDK2 P24941 2/20 0.37
STAT5B P51692 2/20 0.37
ALDH1A1 P00352 2/20 0.37
AURKA O14965 2/20 0.36
PLK4 O00444 1/20 0.36
STK10 O94804 1/20 0.36
PAK4 O96013 1/20 0.36
RET P07949 1/20 0.36
FGFR1 P11362 1/20 0.36
FER P16591 1/20 0.36
CSNK2A2 P19784 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
FLT3 P36888 1/20 0.36
STAT3 P40763 1/20 0.36
STAT5A P42229 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
SCHEMBL3024002 1.00 JAK2 (0.39) JAK2JAK3NTRK1AURKBCDK2
SCHEMBL3009495 0.84 JAK3 (0.42) JAK2JAK3NTRK1AURKBCDK2
SCHEMBL3671586 0.84 JAK3 (0.42) JAK2JAK3NTRK1AURKBCDK2
SCHEMBL2562058 0.81 NTRK1 (0.47) JAK2JAK3NTRK1CDK2ALDH1A1
SCHEMBL2562056 0.81 NTRK1 (0.47) JAK2JAK3NTRK1CDK2ALDH1A1
SCHEMBL14061993 0.80 PIN1 (0.48) JAK2JAK3NTRK1AURKBAURKA
SCHEMBL14061996 0.80 PIN1 (0.48) JAK2JAK3NTRK1AURKBAURKA
SCHEMBL3013727 0.79 JAK2 (0.64) JAK2JAK3NTRK1AURKBCDK2
SCHEMBL3020094 0.77 JAK2 (0.49) JAK2JAK3NTRK1AURKBCDK2
SCHEMBL3772070 0.77 JAK2 (0.62) JAK2JAK3NTRK1AURKBCDK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155742-A1 5-AMINOPYRAZOL-3-YL-3H-IMIDAZO [4,5-B]PYRIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER AstraZeneca AB (SE) 2010-02-24 EP disclosed
WO-2008129255-A1 5-AMINOPYRAZOL-3-YL-3H-IMIDAZO [4,5-B] PYRIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-10-30 WO disclosed