SCHEMBL21229319

SCHEMBL21229319

COC(=O)C(CO)NC(=O)c1cnn2ccc(N(C)Cc3cc(F)ccc3OCCNC(=O)OC(C)(C)C)nc12

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 20/20 0.43
▸ JAK2 O60674 14/20 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
SCHEMBL16936088 0.87 NTRK1 (0.44) NTRK1JAK2
SCHEMBL16936008 0.86 NTRK1 (0.43) NTRK1JAK2
SCHEMBL16946989 0.79 NTRK1 (0.40) NTRK1JAK2
SCHEMBL16946993 0.79 NTRK1 (0.39) NTRK1JAK2
SCHEMBL16946991 0.78 NTRK1 (0.39) NTRK1JAK2
SCHEMBL16946998 0.78 NTRK1 (0.43) NTRK1JAK2
SCHEMBL21229249 0.78 PCSK9 (0.45) NTRK1
SCHEMBL21229251 0.77 NTRK1 (0.45) NTRK1JAK2
SCHEMBL19614330 0.77 NTRK1 (0.39) NTRK1JAK2
SCHEMBL21229317 0.76 NTRK1 (0.37) NTRK1JAK2

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-2019149131-A1 COMPOUND HAVING MACROCYCLIC MOLECULAR STRUCTURE AND USE THEREOF 上海吉倍生物技术有限公司 2019-08-08 — — WO disclosed
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