SCHEMBL945334

SCHEMBL945334

[N]=N[C@H]1C=CC(N2CCCC2c2cncc(F)c2)=CO1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 18/20 0.41
▸ JAK2 O60674 13/20 0.41

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
SCHEMBL949127 1.00 NTRK1 (0.41) NTRK1JAK2
SCHEMBL948131 0.76 JAK2 (0.46) NTRK1JAK2
SCHEMBL932825 0.75 NTRK1 (0.43) NTRK1JAK2
SCHEMBL1538368 0.66 CHRNB4 (0.62) —
SCHEMBL1538366 0.66 CHRNB4 (0.62) —
SCHEMBL29422913 0.66 CHRNB4 (0.62) —
SCHEMBL17848931 0.65 NTRK1 (0.45) NTRK1JAK2
SCHEMBL28670738 0.63 NTRK1 (0.46) NTRK1JAK2
SCHEMBL28670737 0.63 NTRK1 (0.46) NTRK1JAK2
SCHEMBL7101650 0.62 JAK2 (0.45) 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
EP-2451812-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS Array Biopharma, Inc. (US) 2012-05-16 — — EP disclosed
WO-2011006074-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-01-13 — — WO disclosed
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