Sugi Predict

Sugi Predict / Compounds / SCHEMBL4606653

SCHEMBL4606653

SCHEMBL4606653

CN(C)C1CCN(CC(O)Cn2nc(-c3ccc(Cl)c(CNC(=O)c4ccccc4F)c3)c3c2CCN(S(C)(=O)=O)C3)CC1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 20/20 0.55
▸ CD74 P04233 2/20 0.49

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
SCHEMBL4607316 0.91 CTSS (0.53) CTSSCD74
SCHEMBL4094459 0.90 CTSS (0.58) CTSSCD74
SCHEMBL4604620 0.89 CTSS (0.54) CTSSCD74
SCHEMBL4607119 0.87 CTSS (0.49) CTSS
SCHEMBL4089652 0.85 CTSS (0.63) CTSS
SCHEMBL4086108 0.83 CTSS (0.59) CTSSCD74
SCHEMBL4090644 0.83 CTSS (0.61) CTSS
SCHEMBL4083562 0.82 CTSS (0.62) CTSS
SCHEMBL4085427 0.82 CTSS (0.62) CTSS
SCHEMBL4080410 0.82 CTSS (0.57) CTSSCD74

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-2008100620-A2 BICYCLIC AMINOPROPYL TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 — — WO disclosed