SCHEMBL25371012

SCHEMBL25371012

CN(CC1CCN(c2nccc(Nc3cc(C4CC4)[nH]n3)n2)C1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 4/20 0.59
PAK1 Q13153 4/20 0.59
IGF1R P08069 7/20 0.48
NEK1 Q96PY6 1/20 0.46
SRC P12931 2/20 0.45
ABL1 P00519 1/20 0.44
YES1 P07947 1/20 0.44
HCK P08631 1/20 0.44
AURKA O14965 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
SCHEMBL25371006 1.00 PAK4 (0.59) PAK4PAK1IGF1RNEK1SRC
SCHEMBL25370869 0.97 PAK4 (0.55) PAK4PAK1IGF1RNEK1SRC
SCHEMBL25370485 0.95 PAK4 (0.64) PAK4PAK1IGF1RNEK1SRC
SCHEMBL25372498 0.89 PAK4 (0.66) PAK4PAK1IGF1RNEK1AURKA
SCHEMBL30558772 0.89 PAK4 (0.66) PAK4PAK1IGF1RNEK1AURKA
SCHEMBL30558779 0.89 PAK4 (0.66) PAK4PAK1IGF1RNEK1AURKA
SCHEMBL25370283 0.89 PAK4 (0.66) PAK4PAK1IGF1RNEK1AURKA
SCHEMBL25370276 0.89 PAK4 (0.66) PAK4PAK1IGF1RNEK1AURKA
SCHEMBL25371712 0.89 PAK4 (0.54) PAK4PAK1IGF1RSRCABL1
SCHEMBL25368580 0.89 PAK4 (0.54) PAK4PAK1IGF1RSRCABL1

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
WO-2023163712-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN NALO THERAPEUTICS (US) 2023-08-31 WO disclosed
WO-2023164611-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN NALO THERAPEUTICS (US) 2023-08-31 WO disclosed