SCHEMBL30014133

SCHEMBL30014133

COc1ncc(F)cc1[C@H]1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 20/20 0.50
▸ JAK2 O60674 19/20 0.50
▸ JAK1 P23458 1/20 0.46

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
SCHEMBL2598799 1.00 NTRK1 (0.50) NTRK1JAK2JAK1
SCHEMBL15154854 1.00 NTRK1 (0.50) NTRK1JAK2JAK1
SCHEMBL24168609 0.89 NTRK1 (0.43) NTRK1JAK2JAK1
SCHEMBL21587443 0.86 NTRK1 (0.51) NTRK1JAK2JAK1
SCHEMBL933690 0.85 RIPK1 (0.44) NTRK1JAK2
SCHEMBL23501031 0.85 NTRK1 (0.49) NTRK1JAK2JAK1
SCHEMBL933691 0.85 RIPK1 (0.44) NTRK1JAK2
SCHEMBL23501030 0.85 NTRK1 (0.49) NTRK1JAK2JAK1
SCHEMBL23070559 0.83 NTRK1 (0.42) NTRK1JAK2JAK1
SCHEMBL30152534 0.83 NTRK1 (0.42) NTRK1JAK2JAK1

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-3772516-B1 TROPOMYOSIN RECEPTOR KINASE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF JIANGSU VCARE PHARMATECH CO LTD (CN) 2022-12-14 — — EP disclosed
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