SCHEMBL28129630

SCHEMBL28129630

CN(CC1CC1)S(=O)(=O)n1nccc1N1CCC[C@@H]1c1cc(F)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 20/20 0.44
▸ JAK2 O60674 11/20 0.44
▸ ROS1 P08922 1/20 0.39

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
SCHEMBL28129632 1.00 NTRK1 (0.44) NTRK1JAK2ROS1
SCHEMBL16293124 0.88 NTRK1 (0.45) NTRK1JAK2
SCHEMBL28129069 0.88 NTRK1 (0.47) NTRK1JAK2
SCHEMBL28129071 0.88 NTRK1 (0.47) NTRK1JAK2
SCHEMBL28129546 0.85 NTRK1 (0.44) NTRK1JAK2
SCHEMBL28129547 0.85 NTRK1 (0.44) NTRK1JAK2
SCHEMBL28129544 0.82 NTRK1 (0.47) NTRK1JAK2
SCHEMBL21097305 0.82 NTRK1 (0.43) NTRK1JAK2ROS1
SCHEMBL21097306 0.82 NTRK1 (0.43) NTRK1JAK2ROS1
SCHEMBL21097300 0.81 NTRK1 (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 1 patent. 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
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