SCHEMBL460707

SCHEMBL460707

NC(=O)c1cnn2ccc(N3CC(F)(F)CC3c3cccc(F)c3)nc12

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 20/20 0.76
JAK2 O60674 18/20 0.76

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
SCHEMBL460706 1.00 NTRK1 (0.76) NTRK1JAK2
SCHEMBL462365 1.00 NTRK1 (0.76) NTRK1JAK2
SCHEMBL461581 0.93 NTRK1 (0.78) NTRK1JAK2
SCHEMBL461582 0.93 NTRK1 (0.78) NTRK1JAK2
SCHEMBL460885 0.91 NTRK1 (0.78) NTRK1JAK2
SCHEMBL462732 0.91 NTRK1 (0.78) NTRK1JAK2
SCHEMBL12468052 0.90 NTRK1 (0.75) NTRK1JAK2
SCHEMBL12468051 0.90 NTRK1 (0.75) NTRK1JAK2
SCHEMBL469891 0.88 NTRK1 (0.60) NTRK1JAK2
SCHEMBL2692182 0.86 NTRK1 (1.00) 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 3 patents. 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 claimed
WO-2012034095-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 WO disclosed
WO-2012034095-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 WO disclosed