SCHEMBL23083841

SCHEMBL23083841

C[C@@H](CNC(=O)OC(C)(C)C)Oc1ccc(F)cc1[C@@H](C)Nc1ccn2ncc(N)c2n1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 17/20 0.45
▸ NTRK3 Q16288 10/20 0.45
▸ NTRK2 Q16620 8/20 0.45
▸ MKNK2 Q9HBH9 2/20 0.41
▸ PCSK9 Q8NBP7 1/20 0.41

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
SCHEMBL20371088 0.92 NTRK1 (0.46) NTRK1NTRK3NTRK2MKNK2PCSK9
SCHEMBL20359267 0.91 NTRK1 (0.45) NTRK1NTRK3NTRK2MKNK2PCSK9
SCHEMBL20359268 0.91 NTRK1 (0.45) NTRK1NTRK3NTRK2MKNK2PCSK9
SCHEMBL18376029 0.91 NTRK1 (0.45) NTRK1NTRK3NTRK2MKNK2PCSK9
SCHEMBL31250788 0.89 NTRK1 (0.44) NTRK1NTRK3NTRK2PCSK9
SCHEMBL21510296 0.88 NTRK1 (0.49) NTRK1NTRK3NTRK2
SCHEMBL29088903 0.88 NTRK1 (0.49) NTRK1NTRK3NTRK2
SCHEMBL20359954 0.88 NTRK1 (0.43) NTRK1NTRK3NTRK2MKNK2
SCHEMBL21815180 0.88 NTRK1 (0.43) NTRK1NTRK3NTRK2MKNK2
SCHEMBL16946813 0.88 NTRK1 (0.43) NTRK1NTRK3NTRK2MKNK2

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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