SCHEMBL57067

SCHEMBL57067

CC(Nc1cc(-c2cc(C3CC3)[nH]n2)c([N+](=O)[O-])c(N)n1)c1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 15/20 0.58
JAK2 O60674 1/20 0.45
JAK3 P52333 1/20 0.45
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
MAPK1 P28482 2/20 0.36
GPR55 Q9Y2T6 1/20 0.36

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
SCHEMBL3771623 0.88 NTRK1 (0.50) NTRK1JAK2JAK3
SCHEMBL3257549 0.88 NTRK1 (0.56) NTRK1JAK2JAK3MKNK1MKNK2
SCHEMBL3775597 0.87 JAK2 (0.48) NTRK1JAK2JAK3
SCHEMBL4073888 0.84 NTRK1 (0.53) NTRK1JAK2JAK3MKNK1MKNK2
SCHEMBL27658319 0.78 NTRK1 (0.49) NTRK1JAK2JAK3MKNK1MKNK2
SCHEMBL2568432 0.77 NTRK1 (0.55) NTRK1JAK2JAK3MKNK1MKNK2
SCHEMBL3012762 0.76 NTRK1 (0.50) NTRK1JAK2JAK3
SCHEMBL4162039 0.76 NTRK1 (0.62) NTRK1JAK2JAK3
SCHEMBL2571347 0.74 HTT (0.46) NTRK1MKNK1MKNK2MAPK1
SCHEMBL3341203 0.73 NTRK1 (0.51) NTRK1JAK2JAK3

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-2383268-A1 Pyrazolylaminopyridine derivatives useful as kinase inhibitors AstraZeneca AB (SE) 2011-11-02 EP disclosed