SCHEMBL4696529

SCHEMBL4696529

O=[N+]([O-])c1ccc(NC(CO)c2ccc(F)cc2)cc1Nc1cc(C2CC2)[nH]n1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 17/20 0.57
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
IGF1R P08069 1/20 0.40

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
SCHEMBL4696527 1.00 NTRK1 (0.57) NTRK1JAK2JAK3IGF1R
SCHEMBL4086119 0.88 NTRK1 (0.55) NTRK1JAK2JAK3IGF1R
SCHEMBL4086126 0.88 NTRK1 (0.55) NTRK1JAK2JAK3IGF1R
SCHEMBL57129 0.87 NTRK1 (0.58) NTRK1JAK2JAK3IGF1R
SCHEMBL57130 0.87 NTRK1 (0.58) NTRK1JAK2JAK3IGF1R
SCHEMBL2634156 0.87 NTRK1 (0.72) NTRK1JAK2JAK3IGF1R
SCHEMBL4103550 0.85 NTRK1 (0.56) NTRK1JAK2JAK3IGF1R
SCHEMBL4103556 0.85 NTRK1 (0.56) NTRK1JAK2JAK3IGF1R
SCHEMBL3425036 0.85 NTRK1 (0.70) NTRK1JAK2JAK3IGF1R
SCHEMBL27872716 0.85 NTRK1 (0.70) 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