SCHEMBL30417701

SCHEMBL30417701

Clc1cc2nccnc2cc1CNc1cnccc1N1CC2CNCC2C1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ CDC42BPB Q9Y5S2 1/20 0.40
▸ CHRNB2 P17787 2/20 0.36
▸ CHRNA4 P43681 2/20 0.36
▸ CHRNA7 P36544 1/20 0.36
▸ PIM2 Q9P1W9 10/20 0.36
▸ PIM3 Q86V86 2/20 0.34
▸ PIM1 P11309 1/20 0.33

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
SCHEMBL25290961 1.00 ROCK2 (0.40) ROCK2ROCK1CDC42BPBCHRNB2CHRNA4
SCHEMBL25293519 0.84 PIM1 (0.45) PIM2PIM3PIM1
SCHEMBL31145199 0.84 PIM1 (0.45) PIM2PIM3PIM1
SCHEMBL30417276 0.83 PIM2 (0.42) ROCK2ROCK1CDC42BPBCHRNB2CHRNA4
SCHEMBL25287892 0.83 PIM2 (0.42) ROCK2ROCK1CDC42BPBCHRNB2CHRNA4
SCHEMBL25286064 0.81 PIM2 (0.42) PIM2PIM3PIM1
SCHEMBL30417648 0.81 PIM2 (0.42) PIM2PIM3PIM1
SCHEMBL25244797 0.81 PIM2 (0.42) PIM2PIM3PIM1
SCHEMBL25246636 0.81 PIM2 (0.42) PIM2PIM3PIM1
SCHEMBL30417012 0.81 PIM2 (0.42) PIM2PIM3PIM1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4448769-A2 APTAMERS AND SMALL MOLECULE LIGANDS Meiragtx UK II Limited (GB) 2024-10-23 — — EP disclosed
CN-118786217-A Aptamer and small molecule ligand 梅里特斯英国第二有限公司 2024-10-15 — — CN disclosed
WO-2023111686-A2 APTAMERS AND SMALL MOLECULE LIGANDS MEIRAGTX UK II LIMITED (GB) 2023-06-22 — — WO disclosed
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