SCHEMBL7757552

SCHEMBL7757552

Nc1nc(Nc2ccccc2)sc1C(=O)O.Nc1nc(Nc2ccccc2)sc1C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 11/20 0.76
CDK2 P24941 11/20 0.76
CDK5 Q00535 5/20 0.76
CDK5R1 Q15078 5/20 0.76
MAPT P10636 5/20 0.76
NPC1 O15118 3/20 0.76
RAB9A P51151 3/20 0.76
GSK3B P49841 2/20 0.76
GSK3A P49840 1/20 0.76
MAPK14 Q16539 1/20 0.76
TDP1 Q9NUW8 1/20 0.76
LMNA P02545 2/20 0.72
TP53 P04637 1/20 0.72
HPGD P15428 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
CHRNA7 P36544 1/20 0.57

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
SCHEMBL7753436 0.90 CCNA2 (0.76) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL1250529 0.88 NPC1 (0.72) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL1248419 0.86 CCNA2 (1.00) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL7756136 0.86 CCNA2 (0.70) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL4468574 0.85 NPC1 (0.72) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL7756942 0.84 MAPT (1.00) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL4558262 0.84 MAPT (0.67) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL13675233 0.83 CCNA2 (0.82) CCNA2CDK2CDK5CDK5R1GSK3B
SCHEMBL5724765 0.83 CCNA2 (0.87) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL1247900 0.83 GSK3B (1.00) CCNA2CDK2CDK5CDK5R1MAPT

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-2001056567-A1 2,4-DIAMINOTHIAZOLE DERIVATIVES AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 (GSK-3) INHIBITORS NOVO NORDISK A/S (DK) 2001-08-09 WO disclosed