SCHEMBL3671586

SCHEMBL3671586

CC(Nc1nc(F)c(F)cc1[N+](=O)[O-])c1ccc(F)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 13/20 0.42
NTRK1 P04629 7/20 0.42
CDK2 P24941 3/20 0.42
LCK P06239 2/20 0.42
RET P07949 2/20 0.42
FLT3 P36888 2/20 0.42
MUSK O15146 1/20 0.42
FGFR3 P22607 1/20 0.42
CCNE1 P24864 1/20 0.42
PTK2B Q14289 1/20 0.42
JAK2 O60674 13/20 0.41
AURKB Q96GD4 2/20 0.40
STAT5B P51692 1/20 0.39
AURKA O14965 3/20 0.37
NTRK3 Q16288 2/20 0.37
NTRK2 Q16620 2/20 0.37
FYN P06241 1/20 0.37
IGF1R P08069 1/20 0.37
FGFR1 P11362 1/20 0.37
FLT1 P17948 1/20 0.37

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
SCHEMBL3009495 1.00 JAK3 (0.42) JAK3NTRK1CDK2LCKRET
SCHEMBL3024002 0.84 JAK2 (0.39) JAK3NTRK1CDK2RETFLT3
SCHEMBL3666467 0.84 JAK2 (0.39) JAK3NTRK1CDK2RETFLT3
SCHEMBL3008853 0.83 NTRK1 (0.36) NTRK1PRKCQKCNH2
SCHEMBL3670923 0.83 NTRK1 (0.36) NTRK1PRKCQKCNH2
SCHEMBL2562058 0.83 NTRK1 (0.47) JAK3NTRK1CDK2CCNE1JAK2
SCHEMBL2562056 0.83 NTRK1 (0.47) JAK3NTRK1CDK2CCNE1JAK2
SCHEMBL3019305 0.82 MAPT (0.54) JAK3NTRK1CDK2LCKRET
SCHEMBL3670774 0.82 MAPT (0.54) JAK3NTRK1CDK2LCKRET
SCHEMBL14062114 0.81 PIN1 (0.48) JAK3NTRK1CDK2LCKRET

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