SCHEMBL4737074

SCHEMBL4737074

C[C@H](N)CCc1ccc2[nH]nc(-c3cncnc3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 6/20 0.43
MAP2K4 P45985 3/20 0.41
LRRK2 Q5S007 4/20 0.40
DYRK1A Q13627 3/20 0.40
PIM1 P11309 2/20 0.40
CLK2 P49760 2/20 0.38
CLK3 P49761 1/20 0.38
TTK P33981 1/20 0.37
AXL P30530 1/20 0.36
IDO1 P14902 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
SCHEMBL4738899 0.76 DYRK1A (0.45) NTRK1LRRK2DYRK1A
SCHEMBL4736970 0.75 NR3C1 (0.53)
SCHEMBL4733514 0.69 DYRK1A (0.66) MAP2K4LRRK2DYRK1APIM1CLK2
SCHEMBL10770756 0.69 SLC6A2 (0.41)
Hydrochloric Acid SCHEMBL10771402 0.68 SLC6A2 (0.40)
SCHEMBL23626987 0.65 KDR (0.53) LRRK2DYRK1ATTK
SCHEMBL23626988 0.64 KDR (0.75)
SCHEMBL1677867 0.63 LOXL2 (0.52)
SCHEMBL22229846 0.63 LOXL2 (0.52)
SCHEMBL31223729 0.63 LOXL2 (0.52)

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