SCHEMBL29618178

SCHEMBL29618178

N#CC=Cc1cnc2ccc(N3CCCC3c3cc(F)ccc3F)nn12

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 20/20 0.59

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
SCHEMBL23408590 1.00 NTRK1 (0.59) NTRK1
SCHEMBL23408589 0.86 NTRK1 (0.67) NTRK1
SCHEMBL29618156 0.86 NTRK1 (0.67) NTRK1
SCHEMBL23408588 0.83 NTRK1 (0.64) NTRK1
SCHEMBL30293818 0.83 NTRK1 (0.64) NTRK1
SCHEMBL29618155 0.83 NTRK1 (0.64) NTRK1
SCHEMBL23408758 0.81 NTRK1 (0.70) NTRK1
SCHEMBL2180366 0.81 NTRK1 (0.70) NTRK1
SCHEMBL2180370 0.81 NTRK1 (0.70) NTRK1
SCHEMBL1431112 0.81 NTRK1 (0.70) NTRK1

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-114641476-A Preparation and application of protein receptor kinase inhibitor 上海轶诺药业有限公司 2022-06-17 — — CN disclosed
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