SCHEMBL5805486

SCHEMBL5805486

O=C1CN(c2ccccc2)c2nc(Nc3ccc(C(=O)O)cc3)ncc2N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 1.00
GSK3A P49840 9/20 1.00
AURKA O14965 7/20 0.50
PLK1 P53350 1/20 0.48
AURKB Q96GD4 1/20 0.45
MARK3 P27448 1/20 0.43
RPS6KA3 P51812 1/20 0.43
TNK2 Q07912 1/20 0.43

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
SCHEMBL1204311 0.83 GSK3B (0.71) GSK3BGSK3AAURKAPLK1AURKB
SCHEMBL1203451 0.80 GSK3B (0.67) GSK3BGSK3APLK1MARK3RPS6KA3
SCHEMBL5815549 0.78 GSK3B (0.64) GSK3BGSK3AAURKAAURKBMARK3
SCHEMBL3542169 0.74 GSK3A (0.58) GSK3BGSK3AAURKAPLK1AURKB
SCHEMBL15498579 0.74 GSK3B (0.59) GSK3BGSK3AAURKAPLK1MARK3
SCHEMBL1203596 0.74 GSK3A (0.58) GSK3BGSK3APLK1TNK2
SCHEMBL1202829 0.73 GSK3B (0.58) GSK3BGSK3AAURKAPLK1AURKB
SCHEMBL1560081 0.73 GSK3B (0.58) GSK3BGSK3AAURKAPLK1MARK3
SCHEMBL1202703 0.73 GSK3B (0.58) GSK3BGSK3AAURKAPLK1MARK3
SCHEMBL1203963 0.73 GSK3B (0.57) GSK3BGSK3AAURKAPLK1MARK3

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-2006091737-A1 MODULATORS OF GSK-3 ACTIVITY KEMIA, INC. (US) 2006-08-31 WO disclosed