SCHEMBL4694139

SCHEMBL4694139

C[C@@H](Nc1ncc(N)c(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(F)cc1

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 16/20 0.82
▸ IGF1R P08069 4/20 0.65
▸ JAK2 O60674 2/20 0.64
▸ JAK3 P52333 1/20 0.61

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
SCHEMBL2634279 1.00 NTRK1 (0.82) NTRK1IGF1RJAK2JAK3
SCHEMBL4160441 0.89 NTRK1 (0.82) NTRK1IGF1RJAK2JAK3
SCHEMBL4144686 0.89 NTRK1 (1.00) NTRK1IGF1R
SCHEMBL4072344 0.87 NTRK1 (0.80) NTRK1IGF1R
SCHEMBL3338305 0.86 NTRK1 (0.78) NTRK1IGF1RJAK2JAK3
SCHEMBL2634646 0.85 NTRK1 (0.72) NTRK1IGF1RJAK2JAK3
SCHEMBL2634640 0.85 NTRK1 (0.77) NTRK1IGF1RJAK2JAK3
SCHEMBL4070045 0.84 NTRK1 (0.75) NTRK1IGF1RJAK2JAK3
SCHEMBL22535688 0.83 NTRK1 (0.76) NTRK1IGF1RJAK2JAK3
SCHEMBL4696037 0.83 NTRK1 (0.85) NTRK1IGF1RJAK2JAK3

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
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