SCHEMBL462698

SCHEMBL462698

[2H]C1(F)C[C@H](c2cccc(F)c2)N(c2ccn3ncc(C(=O)OCC)c3n2)C1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 20/20 0.61
JAK2 O60674 13/20 0.61

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
SCHEMBL461034 0.92 NTRK1 (0.62) NTRK1JAK2
SCHEMBL931859 0.90 NTRK1 (0.75) NTRK1JAK2
SCHEMBL948312 0.87 NTRK1 (0.59) NTRK1JAK2
SCHEMBL461681 0.87 NTRK1 (0.70) NTRK1JAK2
SCHEMBL945868 0.85 NTRK1 (0.58) NTRK1JAK2
SCHEMBL462141 0.85 NTRK1 (0.54) NTRK1JAK2
SCHEMBL461425 0.84 NTRK1 (0.75) NTRK1JAK2
SCHEMBL31085442 0.84 NTRK1 (0.75) NTRK1JAK2
SCHEMBL462298 0.84 NTRK1 (0.75) NTRK1JAK2
SCHEMBL31085443 0.84 NTRK1 (0.75) 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 2 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