SCHEMBL5545429

SCHEMBL5545429

COc1ccc(CCNc2nc(C(C)(C)C)cn3c(=O)[nH]nc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.46
GSK3A P49840 8/20 0.46
ADORA1 P30542 1/20 0.42
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 0.41
TP53 P04637 3/20 0.40
CYP3A4 P08684 2/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
FABP4 P15090 1/20 0.39

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
SCHEMBL5550039 0.91 GSK3A (0.46) GSK3BGSK3AADORA1TP53MAPT
SCHEMBL5549261 0.88 KMT2A (0.48) TP53MAPTLMNA
SCHEMBL3529920 0.88 GSK3A (0.61) GSK3BGSK3ALMNAFABP4
SCHEMBL5543524 0.88 ADORA1 (0.43) GSK3BGSK3AADORA1
SCHEMBL5549402 0.88 ADORA1 (0.43) GSK3BGSK3AADORA1MAPT
SCHEMBL5543493 0.88 GSK3B (0.50) GSK3BGSK3AADORA1TP53MAPT
SCHEMBL3528033 0.86 GSK3B (0.56) GSK3BGSK3AADORA1
SCHEMBL3527695 0.86 GSK3B (0.42) GSK3BGSK3AADORA1MAPTLMNA
SCHEMBL5548613 0.84 L3MBTL1 (0.41) GSK3BGSK3AMAPT
SCHEMBL3526786 0.83 GSK3B (0.56) GSK3BGSK3AADORA1

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
EP-1678180-B1 SUBSTITUTED 2H-[1,2,4]TRIAZOLO 4,3-A PYRAZINES AS GSK-3 INHIBITORS PFIZER PROD INC (US) 2007-08-08 EP disclosed