SCHEMBL19547381

SCHEMBL19547381

NC(=O)Oc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3OCC(O)CO)nc12

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 20/20 0.82
▸ JAK2 O60674 17/20 0.82
▸ NTRK3 Q16288 1/20 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
SCHEMBL29794639 0.90 NTRK1 (1.00) NTRK1JAK2
SCHEMBL2694841 0.90 NTRK1 (1.00) NTRK1JAK2
SCHEMBL19547347 0.90 NTRK1 (0.81) NTRK1JAK2
SCHEMBL19547358 0.87 JAK2 (0.81) NTRK1JAK2
SCHEMBL19547380 0.86 NTRK1 (0.81) NTRK1JAK2NTRK3
SCHEMBL19547336 0.85 NTRK1 (0.75) NTRK1JAK2
SCHEMBL30009651 0.84 NTRK1 (1.00) NTRK1JAK2
SCHEMBL1022214 0.84 NTRK1 (1.00) NTRK1JAK2
SCHEMBL19547422 0.84 NTRK1 (0.79) NTRK1JAK2
SCHEMBL20015925 0.83 NTRK1 (0.75) NTRK1JAK2NTRK3

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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