SCHEMBL30989340

SCHEMBL30989340

CCOC(=O)c1cnn2ccc(N[C@H](C)c3cc(F)ccc3S[C@@H](C)CO[Si](C)(C)C(C)(C)C)nc12

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 20/20 0.43
▸ NTRK3 Q16288 10/20 0.43
▸ NTRK2 Q16620 8/20 0.43

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
SCHEMBL23037429 1.00 NTRK1 (0.43) NTRK1NTRK3NTRK2
SCHEMBL23037432 1.00 NTRK1 (0.43) NTRK1NTRK3NTRK2
SCHEMBL23037431 1.00 NTRK1 (0.43) NTRK1NTRK3NTRK2
SCHEMBL23037438 0.88 NTRK1 (0.51) NTRK1NTRK3NTRK2
SCHEMBL23037434 0.88 NTRK1 (0.51) NTRK1NTRK3NTRK2
SCHEMBL23037436 0.88 NTRK1 (0.51) NTRK1NTRK3NTRK2
SCHEMBL23047246 0.84 NTRK1 (0.47) NTRK1NTRK3NTRK2
SCHEMBL29617211 0.84 NTRK1 (0.47) NTRK1NTRK3NTRK2
SCHEMBL16946773 0.81 NTRK1 (0.52) NTRK1NTRK3NTRK2
SCHEMBL16946698 0.81 NTRK1 (0.52) 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
EP-3786167-B1 DIARYL MACROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION, AND USE THEREOF PRIMEGENE BEIJING CO LTD (CN) 2024-08-21 — — EP disclosed
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