SCHEMBL3124552

SCHEMBL3124552

C[C@@H](Nc1nc(Nc2cc(C3CC3)[nH]n2)c(F)cc1[N+](=O)[O-])c1ccc(F)cc1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 16/20 0.76
JAK2 O60674 3/20 0.70
JAK3 P52333 2/20 0.70
LIMK1 P53667 1/20 0.51
LIMK2 P53671 1/20 0.51
IGF1R P08069 3/20 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
SCHEMBL2565335 1.00 NTRK1 (0.76) NTRK1JAK2JAK3LIMK1LIMK2
SCHEMBL2573694 0.91 NTRK1 (0.78) NTRK1JAK2JAK3IGF1R
SCHEMBL4696873 0.90 NTRK1 (0.78) NTRK1JAK2JAK3IGF1R
SCHEMBL57691 0.90 NTRK1 (0.78) NTRK1JAK2JAK3IGF1R
SCHEMBL3130155 0.89 NTRK1 (0.88) NTRK1JAK2JAK3IGF1R
SCHEMBL17044023 0.89 NTRK1 (0.88) NTRK1JAK2JAK3IGF1R
SCHEMBL2573790 0.87 NTRK1 (0.61) NTRK1JAK2JAK3IGF1R
SCHEMBL2573786 0.87 NTRK1 (0.61) NTRK1JAK2JAK3IGF1R
SCHEMBL2634350 0.86 NTRK1 (1.00) NTRK1JAK2JAK3IGF1R
SCHEMBL3139815 0.86 JAK2 (0.68) 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-1853602-B1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2010-07-14 EP disclosed