SCHEMBL30417276

SCHEMBL30417276

c1cc(N2CC3CNCC3C2)c(NCc2ccc3nccnc3c2)cn1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PIM2 Q9P1W9 10/20 0.42
▸ SHMT2 P34897 1/20 0.42
▸ ROCK2 O75116 1/20 0.41
▸ ROCK1 Q13464 1/20 0.41
▸ CDC42BPB Q9Y5S2 1/20 0.41
▸ CHRNB2 P17787 2/20 0.38
▸ CHRNA4 P43681 2/20 0.38
▸ CHRNA7 P36544 1/20 0.38
▸ P2RX3 P56373 2/20 0.35
▸ P2RX2 Q9UBL9 2/20 0.35
▸ PIM3 Q86V86 1/20 0.35

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
SCHEMBL25287892 1.00 PIM2 (0.42) PIM2SHMT2ROCK2ROCK1CDC42BPB
SCHEMBL25290961 0.83 ROCK2 (0.40) PIM2ROCK2ROCK1CDC42BPBCHRNB2
SCHEMBL30417701 0.83 ROCK2 (0.40) PIM2ROCK2ROCK1CDC42BPBCHRNB2
SCHEMBL31145218 0.83 SHMT2 (0.42) PIM2SHMT2ROCK2ROCK1CHRNB2
SCHEMBL25292610 0.83 SHMT2 (0.42) PIM2SHMT2ROCK2ROCK1CHRNB2
SCHEMBL25292422 0.81 SHMT2 (0.44) PIM2SHMT2P2RX3P2RX2
SCHEMBL31145254 0.81 SHMT2 (0.44) PIM2SHMT2P2RX3P2RX2
SCHEMBL25293017 0.81 SHMT2 (0.42) PIM2SHMT2P2RX3P2RX2PIM3
SCHEMBL31145357 0.81 SHMT2 (0.42) PIM2SHMT2P2RX3P2RX2PIM3
SCHEMBL25251832 0.81 PIM2 (0.43) PIM2SHMT2P2RX3P2RX2PIM3

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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