SCHEMBL27856018

SCHEMBL27856018

O=[N+]([O-])c1cc(Cl)c(Nc2cc(C3CC3)[nH]n2)nc1NC(CO)c1ccc(F)cc1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 17/20 0.68
NUAK1 O60285 1/20 0.47
IGF1R P08069 1/20 0.47
JAK2 O60674 1/20 0.46
JAK3 P52333 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
SCHEMBL2564629 1.00 NTRK1 (0.68) NTRK1NUAK1IGF1RJAK2JAK3
SCHEMBL2570794 0.97 NTRK1 (0.66) NTRK1NUAK1IGF1RJAK2JAK3
SCHEMBL5029800 0.97 NTRK1 (0.66) NTRK1NUAK1IGF1RJAK2JAK3
SCHEMBL2573786 0.92 NTRK1 (0.61) NTRK1IGF1RJAK2JAK3
SCHEMBL2573790 0.92 NTRK1 (0.61) NTRK1IGF1RJAK2JAK3
SCHEMBL3425036 0.88 NTRK1 (0.70) NTRK1IGF1RJAK2JAK3
SCHEMBL27872716 0.88 NTRK1 (0.70) NTRK1IGF1RJAK2JAK3
SCHEMBL2573694 0.87 NTRK1 (0.78) NTRK1NUAK1IGF1RJAK2JAK3
SCHEMBL2566973 0.86 NTRK1 (0.50) NTRK1JAK2JAK3
SCHEMBL4694176 0.86 NTRK1 (0.77) 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
CN-101155800-B Pyrazolylaminopyridine derivatives useful as kinase inhibitors ASTRAZENECA AB 2012-05-23 CN disclosed