SCHEMBL460844

SCHEMBL460844

CN(C)C(=O)c1ccc(F)cc1C1CCCN1c1ccn2ncc(C(N)=O)c2n1

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 20/20 0.79
JAK2 O60674 18/20 0.79

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
SCHEMBL462906 0.89 NTRK1 (0.83) NTRK1JAK2
SCHEMBL29794608 0.89 NTRK1 (1.00) NTRK1JAK2
SCHEMBL2693661 0.89 NTRK1 (1.00) NTRK1JAK2
SCHEMBL2693657 0.89 NTRK1 (1.00) NTRK1JAK2
SCHEMBL4101766 0.88 NTRK1 (0.83) NTRK1JAK2
SCHEMBL2691801 0.87 NTRK1 (1.00) NTRK1JAK2
SCHEMBL2691800 0.87 NTRK1 (1.00) NTRK1JAK2
SCHEMBL29794653 0.87 NTRK1 (1.00) NTRK1JAK2
SCHEMBL460643 0.86 NTRK1 (0.75) NTRK1JAK2
SCHEMBL2695134 0.84 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