SCHEMBL4696873

SCHEMBL4696873

C[C@@H](Nc1nc(Nc2cc(C3CC3)[nH]n2)c([N+](=O)[O-])cc1Cl)c1ccc(F)cc1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 16/20 0.78
JAK2 O60674 1/20 0.61
JAK3 P52333 1/20 0.61
IGF1R P08069 2/20 0.51
NUAK1 O60285 1/20 0.46

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
SCHEMBL57691 1.00 NTRK1 (0.78) NTRK1JAK2JAK3IGF1RNUAK1
SCHEMBL2573694 0.97 NTRK1 (0.78) NTRK1JAK2JAK3IGF1RNUAK1
SCHEMBL3124552 0.90 NTRK1 (0.76) NTRK1JAK2JAK3IGF1R
SCHEMBL2565335 0.90 NTRK1 (0.76) NTRK1JAK2JAK3IGF1R
SCHEMBL5029662 0.88 NTRK1 (1.00) NTRK1JAK2JAK3NUAK1
SCHEMBL2570794 0.87 NTRK1 (0.66) NTRK1JAK2JAK3IGF1RNUAK1
SCHEMBL5029800 0.87 NTRK1 (0.66) NTRK1JAK2JAK3IGF1RNUAK1
SCHEMBL2634350 0.87 NTRK1 (1.00) NTRK1JAK2JAK3IGF1R
SCHEMBL4695260 0.87 NTRK1 (0.60) NTRK1JAK2JAK3
SCHEMBL17044023 0.86 NTRK1 (0.88) NTRK1JAK2JAK3IGF1R

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