SCHEMBL13622978

SCHEMBL13622978

CN1CCC(COc2cc(-c3cnc4ccc(N5CCCC5c5cc(F)ccc5F)nn34)ccc2N)C1

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 20/20 0.56

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
SCHEMBL1431243 0.90 NTRK1 (0.55) NTRK1
SCHEMBL13622967 0.90 NTRK1 (0.56) NTRK1
SCHEMBL12503846 0.89 NTRK1 (0.53) NTRK1
SCHEMBL13622965 0.86 NTRK1 (0.52) NTRK1
SCHEMBL13622998 0.84 NTRK1 (0.64) NTRK1
SCHEMBL13622964 0.84 NTRK1 (0.56) NTRK1
SCHEMBL13622971 0.83 NTRK1 (0.55) NTRK1
SCHEMBL13622992 0.83 NTRK1 (0.65) NTRK1
SCHEMBL12503574 0.83 NTRK1 (0.62) NTRK1
SCHEMBL1430939 0.82 NTRK1 (0.54) 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