SCHEMBL469810

SCHEMBL469810

CCOC(=O)c1cnn2ccc(N3CC(F)(F)C[C@@H]3c3cc(N)cc(F)c3)nc12

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 20/20 0.57
JAK2 O60674 18/20 0.57

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
SCHEMBL462121 0.89 NTRK1 (0.72) NTRK1JAK2
SCHEMBL469694 0.89 NTRK1 (0.72) NTRK1JAK2
SCHEMBL462170 0.88 NTRK1 (0.55) NTRK1JAK2
SCHEMBL460633 0.88 NTRK1 (0.55) NTRK1JAK2
SCHEMBL469891 0.88 NTRK1 (0.60) NTRK1JAK2
SCHEMBL12688026 0.85 NTRK1 (0.41) NTRK1JAK2
SCHEMBL469806 0.85 NTRK1 (0.55) NTRK1JAK2
SCHEMBL2599275 0.84 NTRK1 (0.54) NTRK1JAK2
SCHEMBL462876 0.83 NTRK1 (0.68) NTRK1JAK2
SCHEMBL2599243 0.82 NTRK1 (0.53) NTRK1JAK2

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
WO-2012034095-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 WO disclosed