SCHEMBL461034

SCHEMBL461034

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

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 20/20 0.62
JAK2 O60674 13/20 0.62

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
SCHEMBL462698 0.92 NTRK1 (0.61) NTRK1JAK2
SCHEMBL931859 0.92 NTRK1 (0.75) NTRK1JAK2
SCHEMBL948312 0.89 NTRK1 (0.59) NTRK1JAK2
SCHEMBL469806 0.89 NTRK1 (0.55) NTRK1JAK2
SCHEMBL462409 0.88 NTRK1 (0.68) NTRK1JAK2
SCHEMBL17821068 0.87 NTRK1 (0.58) NTRK1JAK2
SCHEMBL17820606 0.87 NTRK1 (0.58) NTRK1JAK2
SCHEMBL30343339 0.87 NTRK1 (0.58) NTRK1JAK2
SCHEMBL10204216 0.87 NTRK1 (0.61) NTRK1JAK2
SCHEMBL29497161 0.87 NTRK1 (0.55) 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