SCHEMBL19547403

SCHEMBL19547403

CC1(C)OCC(COc2cc(F)cc([C@H]3CCCN3c3ccn4ncc(OC(N)=O)c4n3)c2)O1

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 20/20 0.83
▸ NTRK1 P04629 20/20 0.83

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
SCHEMBL19547400 0.92 NTRK1 (0.82) JAK2NTRK1
SCHEMBL945616 0.91 NTRK1 (1.00) JAK2NTRK1
SCHEMBL19547349 0.88 NTRK1 (0.83) JAK2NTRK1
SCHEMBL30009510 0.85 NTRK1 (1.00) JAK2NTRK1
SCHEMBL950685 0.85 NTRK1 (1.00) JAK2NTRK1
SCHEMBL19547411 0.84 NTRK1 (0.81) JAK2NTRK1
SCHEMBL19547358 0.81 JAK2 (0.81) JAK2NTRK1
SCHEMBL19547514 0.81 NTRK1 (0.82) JAK2NTRK1
SCHEMBL19547437 0.80 NTRK1 (0.83) JAK2NTRK1
SCHEMBL2693914 0.79 NTRK1 (1.00) JAK2NTRK1

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
EP-2451812-B1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2017-11-08 — — EP claimed
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