SCHEMBL4695260

SCHEMBL4695260

Cc1cc(Nc2nc(N[C@H](C)c3ccc(F)cc3)c(Cl)cc2[N+](=O)[O-])n[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 8/20 0.60
JAK2 O60674 8/20 0.58
JAK3 P52333 8/20 0.58
LIMK1 P53667 1/20 0.58
LIMK2 P53671 1/20 0.58
AURKA O14965 3/20 0.46
AURKB Q96GD4 3/20 0.46
RET P07949 2/20 0.45
FLT3 P36888 2/20 0.45
PTK2B Q14289 2/20 0.45
JAK1 P23458 2/20 0.45
TYK2 P29597 2/20 0.45
PLK4 O00444 1/20 0.45
STK10 O94804 1/20 0.45
PAK4 O96013 1/20 0.45
FGFR1 P11362 1/20 0.45
FER P16591 1/20 0.45
CSNK2A2 P19784 1/20 0.45
STAT3 P40763 1/20 0.45
STAT5A P42229 1/20 0.45

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
SCHEMBL3139815 0.89 JAK2 (0.68) NTRK1JAK2JAK3LIMK1LIMK2
SCHEMBL4748708 0.87 NTRK1 (0.54) NTRK1JAK2JAK3LIMK1LIMK2
SCHEMBL2568430 0.87 NTRK1 (0.48) NTRK1JAK2JAK3LIMK1LIMK2
SCHEMBL4696873 0.87 NTRK1 (0.78) NTRK1JAK2JAK3
SCHEMBL57691 0.87 NTRK1 (0.78) NTRK1JAK2JAK3
SCHEMBL2566973 0.84 NTRK1 (0.50) NTRK1JAK2JAK3LIMK1LIMK2
SCHEMBL3137771 0.84 NTRK1 (0.54) NTRK1JAK2JAK3LIMK1LIMK2
SCHEMBL2573694 0.83 NTRK1 (0.78) NTRK1JAK2JAK3
SCHEMBL3772070 0.76 JAK2 (0.62) NTRK1JAK2JAK3LIMK1LIMK2
SCHEMBL3028266 0.76 JAK3 (0.70) NTRK1JAK2JAK3LIMK1LIMK2

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-1853588-B1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-06-18 EP disclosed