SCHEMBL30100791

SCHEMBL30100791

CSc1ccc(F)cc1[C@H]1CCCN1c1ccc2ncc(/C(=N/C#N)NCc3cccc(C[Si](C)(C)C(C)(C)C)c3)n2n1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 20/20 0.43
▸ NTRK3 Q16288 3/20 0.40
▸ NTRK2 Q16620 3/20 0.40

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
SCHEMBL21625424 1.00 NTRK1 (0.43) NTRK1NTRK3NTRK2
SCHEMBL21625426 1.00 NTRK1 (0.43) NTRK1NTRK3NTRK2
SCHEMBL21625427 0.91 NTRK1 (0.46) NTRK1NTRK3NTRK2
SCHEMBL29894187 0.91 NTRK1 (0.46) NTRK1NTRK3NTRK2
SCHEMBL21625429 0.91 NTRK1 (0.46) NTRK1NTRK3NTRK2
SCHEMBL21625434 0.91 NTRK1 (0.46) NTRK1NTRK3NTRK2
SCHEMBL21625432 0.91 NTRK1 (0.46) NTRK1NTRK3NTRK2
SCHEMBL21637249 0.90 NTRK1 (0.41) NTRK1NTRK3NTRK2
SCHEMBL21625425 0.88 NTRK1 (0.43) NTRK1NTRK3NTRK2
SCHEMBL21625419 0.79 NTRK1 (0.47) 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
EP-4093376-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR USES BenevolentAI Bio Limited (GB) 2022-11-30 — — EP disclosed
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