SCHEMBL13623604

SCHEMBL13623604

CN(C)c1cc(-c2cnc3ccc(N4CCCC4c4cc(F)ccc4F)nn23)ccc1N

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 20/20 0.61

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
SCHEMBL13623002 0.94 NTRK1 (0.62) NTRK1
SCHEMBL13622974 0.91 NTRK1 (0.58) NTRK1
SCHEMBL13622998 0.90 NTRK1 (0.64) NTRK1
SCHEMBL13622992 0.89 NTRK1 (0.65) NTRK1
SCHEMBL1431661 0.88 NTRK1 (0.58) NTRK1
SCHEMBL13623110 0.87 NTRK1 (0.61) NTRK1
SCHEMBL1430202 0.86 NTRK1 (0.58) NTRK1
SCHEMBL13622993 0.86 NTRK1 (0.66) NTRK1
SCHEMBL13622994 0.86 NTRK1 (0.66) NTRK1
SCHEMBL12503574 0.85 NTRK1 (0.62) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009140128-A2 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-11-19 WO disclosed