SCHEMBL460457

SCHEMBL460457

N#Cc1ccccc1C1CCCN1c1ccn2ncc(C(N)=O)c2n1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 19/20 0.64
JAK2 O60674 16/20 0.64
IRAK4 Q9NWZ3 1/20 0.55

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
SCHEMBL469724 0.86 NTRK1 (0.68) NTRK1JAK2
SCHEMBL462436 0.85 NTRK1 (0.67) NTRK1JAK2
SCHEMBL462674 0.85 NTRK1 (0.67) NTRK1JAK2
SCHEMBL462965 0.84 NTRK1 (0.79) NTRK1JAK2
SCHEMBL457461 0.83 NTRK1 (0.79) NTRK1JAK2
SCHEMBL460927 0.83 NTRK1 (0.76) NTRK1JAK2
SCHEMBL461352 0.82 NTRK1 (0.79) NTRK1JAK2
SCHEMBL460628 0.79 NTRK1 (0.73) NTRK1JAK2
SCHEMBL469892 0.78 NTRK1 (0.81) NTRK1JAK2
SCHEMBL2691800 0.78 NTRK1 (1.00) 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