SCHEMBL30701933

SCHEMBL30701933

COC(=O)N1CCC(n2cc(-c3cncc(OCc4ccccc4Cl)c3)cn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
INPPL1 O15357 1/20 0.57
MET P08581 11/20 0.49
MAP4K3 Q8IVH8 3/20 0.49
PAK1 Q13153 3/20 0.43
PAK4 O96013 1/20 0.43
FAAH O00519 1/20 0.43
MAP3K7 O43318 1/20 0.42
TAB1 Q15750 1/20 0.42

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
SCHEMBL30701915 0.91 INPPL1 (0.57) INPPL1METMAP4K3FAAH
SCHEMBL30701918 0.90 INPPL1 (0.56) INPPL1METMAP4K3PAK1PAK4
SCHEMBL30701916 0.88 INPPL1 (0.57) INPPL1METMAP4K3PAK1PAK4
SCHEMBL30701923 0.83 MET (0.54) INPPL1METMAP4K3
SCHEMBL30701935 0.83 INPPL1 (0.69) INPPL1MET
SCHEMBL30701925 0.82 INPPL1 (0.82) INPPL1METMAP4K3PAK1PAK4
SCHEMBL30701908 0.82 MET (0.54) INPPL1METMAP4K3MAP3K7TAB1
SCHEMBL30701917 0.81 INPPL1 (0.59) INPPL1METMAP4K3PAK1PAK4
Hydrochloric Acid SCHEMBL30701912 0.81 INPPL1 (0.81) INPPL1METMAP4K3PAK1PAK4
SCHEMBL30701926 0.77 INPPL1 (0.52) INPPL1METMAP4K3

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-4554936-A1 CRIZOTINIB ANALOGUES AS SHIP1 INHIBITORS USEFUL TO TREAT ALZHEINER'S DISEASES The Trustees of Indiana University (US) 2025-05-21 EP disclosed
WO-2024015759-A1 CRIZOTINIB ANALOGUES AS SHIP1 INHIBITORS USEFUL TO TREAT ALZHEINER'S DISEASES THE TRUSTEES OF INDIANA UNIVERSITY (US) 2024-01-18 WO disclosed