SCHEMBL13623602

SCHEMBL13623602

Nc1cc(-c2cnc3ccc(N4CCCC4c4cc(F)ccc4F)nn23)ccc1NCCN1CCOCC1

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
SCHEMBL13623611 0.94 NTRK1 (0.57) NTRK1
SCHEMBL1431225 0.90 NTRK1 (0.55) NTRK1
SCHEMBL1430550 0.89 NTRK1 (0.55) NTRK1
SCHEMBL13622964 0.85 NTRK1 (0.56) NTRK1
SCHEMBL13622996 0.85 NTRK1 (0.62) NTRK1
SCHEMBL1431510 0.85 NTRK1 (0.54) NTRK1
SCHEMBL13622992 0.83 NTRK1 (0.65) NTRK1
SCHEMBL12500135 0.83 NTRK1 (0.62) NTRK1
SCHEMBL1430670 0.82 NTRK1 (0.60) NTRK1
SCHEMBL13622998 0.81 NTRK1 (0.64) 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