SCHEMBL23070828

SCHEMBL23070828

C[C@@H](Nc1ccn2ncc([N+](=O)[O-])c2n1)c1cc(F)ccc1OCC(CO)NC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 20/20 0.52
▸ NTRK3 Q16288 12/20 0.52
▸ NTRK2 Q16620 10/20 0.52

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
SCHEMBL23070830 1.00 NTRK1 (0.52) NTRK1NTRK3NTRK2
SCHEMBL28495529 0.82 NTRK1 (0.50) NTRK1NTRK3NTRK2
SCHEMBL29088921 0.82 NTRK1 (0.49) NTRK1NTRK3NTRK2
SCHEMBL23070603 0.82 NTRK1 (0.58) NTRK1NTRK3NTRK2
SCHEMBL23070601 0.82 NTRK1 (0.58) NTRK1NTRK3NTRK2
SCHEMBL29088981 0.79 NTRK1 (0.47) NTRK1NTRK3NTRK2
SCHEMBL29088918 0.79 NTRK1 (0.52) NTRK1NTRK3NTRK2
SCHEMBL29766708 0.79 NTRK1 (0.61) NTRK1NTRK3NTRK2
SCHEMBL23083891 0.79 NTRK1 (0.51) NTRK1NTRK3NTRK2
SCHEMBL23070835 0.77 NTRK1 (0.58) NTRK1NTRK3NTRK2

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
WO-2021042890-A1 HETEROCYCLIC COMPOUND AND APPLICATION THEREOF AS TRK KINASE INHIBITOR 罗欣药业(上海)有限公司 2021-03-11 — — WO disclosed
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