SCHEMBL460641

SCHEMBL460641

CN(C)C(=O)c1cnn2ccc(N3CCC[C@@H]3c3cccc(F)c3)nc12

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 19/20 0.79
JAK2 O60674 10/20 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
SCHEMBL460615 0.90 NTRK1 (0.86) NTRK1JAK2
SCHEMBL460905 0.90 NTRK1 (0.86) NTRK1JAK2
SCHEMBL462163 0.88 NTRK1 (1.00) NTRK1JAK2
SCHEMBL461191 0.88 NTRK1 (1.00) NTRK1JAK2
SCHEMBL460637 0.87 NTRK1 (0.81) NTRK1JAK2
SCHEMBL2693661 0.86 NTRK1 (1.00) NTRK1JAK2
SCHEMBL2693657 0.86 NTRK1 (1.00) NTRK1JAK2
SCHEMBL29794608 0.86 NTRK1 (1.00) NTRK1JAK2
SCHEMBL460554 0.85 NTRK1 (0.94) NTRK1JAK2
SCHEMBL460555 0.85 NTRK1 (0.94) 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