SCHEMBL461871

SCHEMBL461871

NC(=O)c1cnn2ccc(N3C[C@@H](F)C[C@@H]3c3cccc(F)c3)nc12

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 20/20 0.73
JAK2 O60674 17/20 0.73

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
SCHEMBL462409 0.93 NTRK1 (0.68) NTRK1JAK2
SCHEMBL461681 0.91 NTRK1 (0.70) NTRK1JAK2
SCHEMBL469809 0.88 NTRK1 (0.65) NTRK1JAK2
SCHEMBL461220 0.88 NTRK1 (0.62) NTRK1JAK2
SCHEMBL469889 0.88 NTRK1 (0.59) NTRK1JAK2
SCHEMBL461890 0.88 NTRK1 (0.68) NTRK1JAK2
SCHEMBL461621 0.87 NTRK1 (0.64) NTRK1JAK2
SCHEMBL462853 0.87 JAK2 (0.62) NTRK1JAK2
SCHEMBL456410 0.87 NTRK1 (0.64) NTRK1JAK2
SCHEMBL460745 0.86 NTRK1 (0.66) 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