SCHEMBL460886

SCHEMBL460886

CC(C)(C)OC(=O)N1CCC(Nc2cnc3ccc(N4C[C@@H](F)C[C@@H]4c4cccc(F)c4)nn23)CC1

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 20/20 0.57

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
SCHEMBL462881 0.90 NTRK1 (0.66) NTRK1
SCHEMBL10280193 0.89 NTRK1 (0.49) NTRK1
SCHEMBL432863 0.89 NTRK1 (0.49) NTRK1
SCHEMBL461550 0.85 NTRK1 (0.64) NTRK1
SCHEMBL460750 0.81 NTRK1 (0.61) NTRK1
SCHEMBL431818 0.78 NTRK1 (0.56) NTRK1
SCHEMBL23761805 0.78 NTRK1 (0.45) NTRK1
SCHEMBL12504925 0.77 NTRK1 (0.67) NTRK1
SCHEMBL23692444 0.77 NTRK1 (0.45) NTRK1
SCHEMBL464621 0.77 NTRK1 (0.69) NTRK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2614062-A1 IMIDAZO [1, 2]PYRIDAZIN COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2013-07-17 EP claimed
WO-2012034091-A1 IMIDAZO [1, 2] PYRIDAZIN COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 WO claimed