SCHEMBL462298

SCHEMBL462298

CCOC(=O)c1cnn2ccc(N3CCCC3c3cccc(F)c3)nc12

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 20/20 0.75
JAK2 O60674 9/20 0.75

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
SCHEMBL461425 1.00 NTRK1 (0.75) NTRK1JAK2
SCHEMBL31085442 1.00 NTRK1 (0.75) NTRK1JAK2
SCHEMBL31085443 1.00 NTRK1 (0.75) NTRK1JAK2
SCHEMBL461901 0.97 NTRK1 (0.71) NTRK1JAK2
SCHEMBL30865806 0.90 NTRK1 (0.75) NTRK1JAK2
SCHEMBL949090 0.90 NTRK1 (0.75) NTRK1JAK2
SCHEMBL17830903 0.90 NTRK1 (0.75) NTRK1JAK2
SCHEMBL31085459 0.90 NTRK1 (0.62) NTRK1JAK2
SCHEMBL31085446 0.90 NTRK1 (0.62) NTRK1JAK2
SCHEMBL24121345 0.90 JAK2 (0.59) 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