SCHEMBL469806

SCHEMBL469806

CCOC(=O)c1cnn2ccc(N3C[C@@H](F)C[C@@H]3c3cc(N)cc(F)c3)nc12

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 20/20 0.55
JAK2 O60674 14/20 0.49

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 0.89 NTRK1 (0.62) NTRK1JAK2
SCHEMBL460473 0.88 NTRK1 (0.61) NTRK1JAK2
SCHEMBL469889 0.87 NTRK1 (0.59) NTRK1JAK2
SCHEMBL469810 0.85 NTRK1 (0.57) NTRK1JAK2
SCHEMBL12688023 0.85 NTRK1 (0.41) NTRK1JAK2
SCHEMBL17820606 0.84 NTRK1 (0.58) NTRK1JAK2
SCHEMBL17821068 0.84 NTRK1 (0.58) NTRK1JAK2
SCHEMBL30343339 0.84 NTRK1 (0.58) NTRK1JAK2
SCHEMBL29497161 0.84 NTRK1 (0.55) NTRK1JAK2
SCHEMBL29497118 0.83 NTRK1 (0.51) 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 1 patent. 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 disclosed