SCHEMBL462413

SCHEMBL462413

O=C(O)c1cc(F)cc([C@H]2C[C@H](F)CN2c2ccn3ncc(C(=O)O)c3n2)c1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 19/20 0.64
JAK2 O60674 13/20 0.53

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
SCHEMBL461220 0.89 NTRK1 (0.62) NTRK1JAK2
SCHEMBL18863620 0.88 NTRK1 (0.82) NTRK1JAK2
SCHEMBL462409 0.88 NTRK1 (0.68) NTRK1JAK2
SCHEMBL469889 0.83 NTRK1 (0.59) NTRK1JAK2
SCHEMBL17820882 0.83 NTRK1 (0.65) NTRK1JAK2
SCHEMBL17820710 0.83 NTRK1 (0.65) NTRK1JAK2
SCHEMBL30151383 0.83 NTRK1 (0.65) NTRK1JAK2
SCHEMBL18875084 0.81 NTRK1 (0.81) NTRK1JAK2
SCHEMBL460985 0.81 NTRK1 (0.65) NTRK1JAK2
SCHEMBL18863637 0.81 NTRK1 (0.83) 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 2 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 disclosed
WO-2012034095-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 WO disclosed