SCHEMBL462737

SCHEMBL462737

N#Cc1cc(F)cc([C@H]2CC(F)(F)CN2c2ccn3ncc(C(N)=O)c3n2)c1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 20/20 0.59
JAK2 O60674 14/20 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
SCHEMBL469891 0.88 NTRK1 (0.60) NTRK1JAK2
SCHEMBL462170 0.87 NTRK1 (0.55) NTRK1JAK2
SCHEMBL460633 0.87 NTRK1 (0.55) NTRK1JAK2
SCHEMBL462365 0.85 NTRK1 (0.76) NTRK1JAK2
SCHEMBL460707 0.85 NTRK1 (0.76) NTRK1JAK2
SCHEMBL460706 0.85 NTRK1 (0.76) NTRK1JAK2
SCHEMBL12477980 0.85 NTRK1 (0.44) NTRK1JAK2
SCHEMBL12477982 0.85 NTRK1 (0.44) NTRK1JAK2
SCHEMBL460628 0.85 NTRK1 (0.73) NTRK1JAK2
SCHEMBL460985 0.84 NTRK1 (0.65) 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 1 patent. 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 disclosed