SCHEMBL28129544

SCHEMBL28129544

NS(=O)(=O)n1nccc1N1CCC[C@@H]1c1cc(F)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 19/20 0.47
▸ JAK2 O60674 10/20 0.47
▸ PIK3C3 Q8NEB9 1/20 0.41
▸ NTRK3 Q16288 1/20 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
SCHEMBL21097341 0.88 NTRK1 (0.44) NTRK1JAK2PIK3C3NTRK3
SCHEMBL21097293 0.88 NTRK1 (0.44) NTRK1JAK2PIK3C3NTRK3
SCHEMBL21097294 0.88 NTRK1 (0.44) NTRK1JAK2PIK3C3NTRK3
SCHEMBL21097337 0.88 NTRK1 (0.44) NTRK1JAK2PIK3C3NTRK3
SCHEMBL21097311 0.87 NTRK1 (0.43) NTRK1JAK2PIK3C3NTRK3
SCHEMBL21097312 0.87 NTRK1 (0.43) NTRK1JAK2PIK3C3NTRK3
SCHEMBL21097300 0.86 NTRK1 (0.45) NTRK1JAK2
SCHEMBL21097324 0.86 NTRK1 (0.45) NTRK1JAK2PIK3C3NTRK3
SCHEMBL18049519 0.86 NTRK1 (0.45) NTRK1JAK2
SCHEMBL21097326 0.86 NTRK1 (0.45) NTRK1JAK2PIK3C3NTRK3

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
CN-104114553-B Substituted pyrazolo [1,5 a] pyridine as tropomyosin receptor kinase (Trk) inhibitor 雷迪博士实验室有限公司 2017-03-01 — — CN claimed
CN-104114553-B Substituted pyrazolo [1,5 a] pyridine as tropomyosin receptor kinase (Trk) inhibitor 雷迪博士实验室有限公司 2017-03-01 — — CN disclosed
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