SCHEMBL30566845

SCHEMBL30566845

CN(C)C[C@H]1CCN(c2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)C1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 6/20 0.61
PAK1 Q13153 6/20 0.61
IGF1R P08069 6/20 0.49
AURKA O14965 2/20 0.46
NEK1 Q96PY6 1/20 0.44

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
SCHEMBL25369365 1.00 PAK4 (0.61) PAK4PAK1IGF1RAURKANEK1
SCHEMBL30558772 0.96 PAK4 (0.66) PAK4PAK1IGF1RAURKANEK1
SCHEMBL30558779 0.96 PAK4 (0.66) PAK4PAK1IGF1RAURKANEK1
SCHEMBL25372498 0.96 PAK4 (0.66) PAK4PAK1IGF1RAURKANEK1
SCHEMBL25370276 0.96 PAK4 (0.66) PAK4PAK1IGF1RAURKANEK1
SCHEMBL25370283 0.96 PAK4 (0.66) PAK4PAK1IGF1RAURKANEK1
SCHEMBL30558797 0.91 PAK4 (0.71) PAK4PAK1IGF1RAURKANEK1
SCHEMBL25371981 0.91 PAK4 (0.71) PAK4PAK1IGF1RAURKANEK1
SCHEMBL25370869 0.90 PAK4 (0.55) PAK4PAK1IGF1RAURKANEK1
SCHEMBL25370739 0.88 PAK4 (0.62) PAK4PAK1IGF1RNEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119053590-A Modulators of MYC family protooncogene proteins 纳罗医疗公司 2024-11-29 CN disclosed
WO-2023164611-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN NALO THERAPEUTICS (US) 2023-08-31 WO disclosed