SCHEMBL23070735

SCHEMBL23070735

C[C@@H](Nc1ccn2ncc(N(C(=O)O)c3ccccc3)c2n1)c1cc(F)ccc1OCC(N)CO

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 20/20 0.51
▸ NTRK3 Q16288 10/20 0.51
▸ NTRK2 Q16620 8/20 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
SCHEMBL23070838 0.83 NTRK1 (0.58) NTRK1NTRK3NTRK2
SCHEMBL23070835 0.83 NTRK1 (0.58) NTRK1NTRK3NTRK2
SCHEMBL23070738 0.82 NTRK1 (0.54) NTRK1NTRK3NTRK2
SCHEMBL23070639 0.82 NTRK1 (0.54) NTRK1NTRK3NTRK2
SCHEMBL23037410 0.76 NTRK1 (0.59) NTRK1NTRK3NTRK2
SCHEMBL23037411 0.76 NTRK1 (0.59) NTRK1NTRK3NTRK2
SCHEMBL23037413 0.76 NTRK1 (0.59) NTRK1NTRK3NTRK2
SCHEMBL23037390 0.74 NTRK1 (0.59) NTRK1NTRK3NTRK2
SCHEMBL23037392 0.74 NTRK1 (0.59) NTRK1NTRK3NTRK2
SCHEMBL31171166 0.74 NTRK1 (0.59) 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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