SCHEMBL457461

SCHEMBL457461

NC(=O)c1cnn2ccc(N3CCCC3c3ccccc3C(F)(F)F)nc12

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 20/20 0.79
JAK2 O60674 19/20 0.79

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
SCHEMBL469724 0.88 NTRK1 (0.68) NTRK1JAK2
SCHEMBL2695134 0.88 NTRK1 (1.00) NTRK1JAK2
SCHEMBL455047 0.88 NTRK1 (1.00) NTRK1JAK2
SCHEMBL462674 0.85 NTRK1 (0.67) NTRK1JAK2
SCHEMBL462436 0.85 NTRK1 (0.67) NTRK1JAK2
SCHEMBL462965 0.84 NTRK1 (0.79) NTRK1JAK2
SCHEMBL460457 0.83 NTRK1 (0.64) NTRK1JAK2
SCHEMBL12477938 0.81 NTRK1 (0.56) NTRK1JAK2
SCHEMBL933605 0.80 NTRK1 (0.86) NTRK1JAK2
SCHEMBL933607 0.80 NTRK1 (0.86) 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