SCHEMBL26050488

SCHEMBL26050488

CN(CCCNC(=O)OC(C)(C)C)c1nccc(Nc2cc(C3CC3)[nH]n2)n1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 13/20 0.54
PAK1 Q13153 3/20 0.49
AURKA O14965 2/20 0.49
PAK4 O96013 2/20 0.49
SRC P12931 1/20 0.45
PAK3 O75914 1/20 0.44
PAK2 Q13177 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
SCHEMBL25370665 0.87 PAK1 (0.49) IGF1RPAK1AURKAPAK4SRC
SCHEMBL30566830 0.87 PAK1 (0.49) IGF1RPAK1AURKAPAK4SRC
SCHEMBL26049061 0.83 PAK1 (0.57) IGF1RPAK1AURKAPAK4PAK3
SCHEMBL25370237 0.81 PAK1 (0.54) IGF1RPAK1AURKAPAK4SRC
SCHEMBL26049032 0.81 PAK1 (0.58) IGF1RPAK1AURKAPAK4PAK3
SCHEMBL30558788 0.79 IGF1R (0.54) IGF1RPAK1PAK4SRC
SCHEMBL25368424 0.79 IGF1R (0.54) IGF1RPAK1PAK4SRC
SCHEMBL25403360 0.77 PAK1 (0.46) IGF1RPAK1AURKAPAK4SRC
SCHEMBL30503921 0.77 PAK1 (0.46) IGF1RPAK1AURKAPAK4SRC
SCHEMBL24065231 0.77 PAK1 (0.48) IGF1RPAK1PAK4SRCPAK3

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