SCHEMBL29593223

SCHEMBL29593223

CN(c1nccc(Nc2cc(C3CC3)[nH]n2)n1)C1CCC(NC(=O)C2Cc3ccccc3C2)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 6/20 0.47
NEK1 Q96PY6 1/20 0.46
SRC P12931 2/20 0.46
PAK1 Q13153 3/20 0.44
PAK4 O96013 2/20 0.44
PAK3 O75914 1/20 0.43
PAK2 Q13177 1/20 0.43
ABL1 P00519 1/20 0.43
YES1 P07947 1/20 0.43
HCK P08631 1/20 0.43
AURKA O14965 1/20 0.43

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
SCHEMBL26576047 1.00 IGF1R (0.47) IGF1RNEK1SRCPAK1PAK4
SCHEMBL25242057 1.00 IGF1R (0.47) IGF1RNEK1SRCPAK1PAK4
SCHEMBL29594362 0.97 IGF1R (0.45) IGF1RNEK1SRCPAK1PAK4
SCHEMBL25292486 0.97 IGF1R (0.45) IGF1RNEK1SRCPAK1PAK4
SCHEMBL29592987 0.93 NEK1 (0.46) IGF1RNEK1SRCPAK1PAK4
SCHEMBL25240444 0.93 NEK1 (0.46) IGF1RNEK1SRCPAK1PAK4
SCHEMBL26576065 0.93 NEK1 (0.46) IGF1RNEK1SRCPAK1PAK4
SCHEMBL24065154 0.91 IGF1R (0.48) IGF1RNEK1SRCPAK1PAK4
SCHEMBL29594449 0.87 IGF1R (0.45) IGF1RNEK1SRCPAK1PAK4
SCHEMBL25288416 0.87 IGF1R (0.45) IGF1RNEK1SRCPAK1PAK4

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
EP-4204411-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN Nalo Therapeutics (US) 2023-07-05 EP disclosed
WO-2022046861-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN NALO THERAPEUTICS (US) 2022-03-03 WO disclosed