SCHEMBL30701913

SCHEMBL30701913

Clc1ccccc1COc1cncc(-n2cc(C3CCNCC3)cn2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
INPPL1 O15357 3/20 0.48
MAP4K3 Q8IVH8 2/20 0.44
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
ALKBH1 Q13686 1/20 0.40
HTR6 P50406 1/20 0.39
NMT1 P30419 1/20 0.38
SRC P12931 2/20 0.37
USP1 O94782 2/20 0.37
RIPK2 O43353 1/20 0.37
ABL1 P00519 1/20 0.36
EPHA2 P29317 1/20 0.36
EPHB3 P54753 1/20 0.36
EPHA4 P54764 1/20 0.36
PAK4 O96013 1/20 0.36
PAK1 Q13153 1/20 0.36
MCHR1 Q99705 1/20 0.36

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
SCHEMBL30701934 0.82 INPPL1 (0.44) INPPL1MAP4K3SLC6A2SLC6A4SLC6A3
SCHEMBL30701904 0.80 MAPT (0.47)
SCHEMBL30701925 0.74 INPPL1 (0.82) INPPL1MAP4K3PAK4PAK1
Hydrochloric Acid SCHEMBL30701912 0.74 INPPL1 (0.81) INPPL1MAP4K3PAK4PAK1
SCHEMBL30701936 0.70 INPPL1 (0.58) INPPL1MAP4K3SRCPAK4PAK1
SCHEMBL20134926 0.65 JAK2 (0.49) USP1
SCHEMBL31465935 0.64 P2RY14 (0.46) USP1
Hydrochloric Acid SCHEMBL30701910 0.64 INPPL1 (0.98) INPPL1MAP4K3PAK4PAK1
SCHEMBL8696039 0.64 HTR6 (0.42) MAP4K3SLC6A2SLC6A4SLC6A3HTR6
SCHEMBL26151162 0.63 INPPL1 (0.74) INPPL1MAP4K3PAK4PAK1

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