SCHEMBL4735202

SCHEMBL4735202

C[C@@H](/C=C/c1ccc2[nH]nc(-c3cncnc3)c2c1)NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 6/20 0.45
RPS6KA5 O75582 1/20 0.38
MAPK1 P28482 5/20 0.38
NEK2 P51955 3/20 0.38
PLK1 P53350 3/20 0.38
MAPK3 P27361 2/20 0.36
CYP1A2 P05177 1/20 0.36
AAK1 Q2M2I8 1/20 0.35
LRRK2 Q5S007 1/20 0.34

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
SCHEMBL4738899 0.77 DYRK1A (0.45) DYRK1AMAPK1MAPK3CYP1A2AAK1
SCHEMBL4735199 0.72 NR3C1 (0.40)
SCHEMBL10980321 0.68 PPARA (0.47)
SCHEMBL9058208 0.68 PPARA (0.47)
SCHEMBL10973888 0.68 PPARA (0.47)
SCHEMBL9059145 0.67 PPARA (0.47) CYP1A2
SCHEMBL10771722 0.65 CTSL (0.41)
SCHEMBL10771726 0.65 CTSL (0.41)
SCHEMBL3712153 0.64 MAPK1 (0.46) DYRK1AMAPK1CYP1A2
SCHEMBL4006767 0.64 LRRK2 (0.53) LRRK2

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-2008079073-A1 INDAZOLYL SULPHONAMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2008-07-03 WO disclosed