SCHEMBL462409

SCHEMBL462409

O=C(O)c1cnn2ccc(N3C[C@@H](F)C[C@@H]3c3cccc(F)c3)nc12

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 20/20 0.68
JAK2 O60674 13/20 0.68

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
SCHEMBL461871 0.93 NTRK1 (0.73) NTRK1JAK2
SCHEMBL932751 0.90 NTRK1 (0.82) NTRK1JAK2
SCHEMBL933270 0.90 NTRK1 (0.82) NTRK1JAK2
SCHEMBL461967 0.90 NTRK1 (0.67) NTRK1JAK2
SCHEMBL462853 0.89 JAK2 (0.62) NTRK1JAK2
SCHEMBL461034 0.88 NTRK1 (0.62) NTRK1JAK2
SCHEMBL462413 0.88 NTRK1 (0.64) NTRK1JAK2
SCHEMBL469720 0.87 NTRK1 (0.64) NTRK1JAK2
SCHEMBL461311 0.87 NTRK1 (0.67) NTRK1JAK2
SCHEMBL460917 0.87 NTRK1 (0.63) 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