SCHEMBL4738899

SCHEMBL4738899

C[C@@H](CCc1ccc2[nH]nc(-c3cncnc3)c2c1)NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 12/20 0.45
MAPK1 P28482 4/20 0.38
CYP1A2 P05177 1/20 0.38
WNT1 P04628 4/20 0.36
AAK1 Q2M2I8 1/20 0.36
MAPK3 P27361 1/20 0.36
NTRK1 P04629 1/20 0.35
LRRK2 Q5S007 1/20 0.35

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
SCHEMBL4735202 0.77 DYRK1A (0.45) DYRK1AMAPK1CYP1A2AAK1MAPK3
SCHEMBL4737074 0.76 NTRK1 (0.43) DYRK1ANTRK1LRRK2
SCHEMBL4738893 0.72 SMO (0.47)
SCHEMBL21591549 0.72 LMNA (0.56)
SCHEMBL995999 0.69 LIPG (0.45) MAPK1CYP1A2AAK1
SCHEMBL27721561 0.69 SCN9A (0.40) MAPK1CYP1A2
SCHEMBL10981741 0.68 CTSK (0.62) MAPK1CYP1A2
SCHEMBL10974978 0.68 CTSK (0.62) MAPK1CYP1A2
SCHEMBL28535891 0.68 ACACB (0.43)
SCHEMBL28733236 0.68 CTSK (0.62) MAPK1CYP1A2

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