SCHEMBL5309259

SCHEMBL5309259

CCC(C)OC(=O)C(C(=O)O)c1cncc(Cl)n1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
CTSA P10619 1/20 0.32
HRH3 Q9Y5N1 3/20 0.30
HRH4 Q9H3N8 1/20 0.30

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
SCHEMBL21381606 0.80 MAPK1 (0.37) MAPTCTSA
SCHEMBL5306377 0.78 CDK2 (0.39) CTSA
SCHEMBL9988882 0.77 LMNA (0.51) MAPT
SCHEMBL2580431 0.76 ALDH1A1 (0.38) MAPTCTSA
SCHEMBL2654654 0.75 MAPT (0.39) MAPT
SCHEMBL21381538 0.74 AKR1C3 (0.37) CTSA
SCHEMBL2645148 0.73 MAPT (0.37) MAPT
SCHEMBL5772798 0.73 MAPT (0.35) MAPT
SCHEMBL26122997 0.72 MAPK1 (0.39) MAPTCTSA
SCHEMBL12985769 0.72 MAPT (0.39) MAPT

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
WO-2007035153-A1 NOVEL PROCESS FOR THE PREPARATION OF 6-METHYL-PYRAZIN-2-YLAMINE ASTRAZENECA AB (SE) 2007-03-29 WO disclosed
WO-2007035154-A1 NOVEL N-PYRAZINIL-PHENYLSULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS FOR USE IN THE TREATMENT OF ASTHMA ASTRAZENECA AB (SE) 2007-03-29 WO disclosed