SCHEMBL8099294

SCHEMBL8099294

CCCNc1ccc([N+](=O)[O-])c(N)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.44
GSK3A P49840 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CDK1 P06493 2/20 0.42
CCNB2 O95067 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
RIPK1 Q13546 1/20 0.42
HCAR3 P49019 2/20 0.42
ALDH1A1 P00352 4/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 5/20 0.39
PKM P14618 2/20 0.39
NPC1 O15118 1/20 0.39
CRHBP P24387 1/20 0.39
RAB9A P51151 1/20 0.39
CRHR2 Q13324 1/20 0.39
CYP2D6 P10635 1/20 0.38
TLR8 Q9NR97 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL10270164 0.88 PGK1 (0.42) GSK3BGSK3AL3MBTL1CDK1CCNB2
SCHEMBL6069366 0.87 GSK3B (0.46) GSK3BGSK3AL3MBTL1CDK1CCNB2
SCHEMBL4669978 0.86 MAPT (0.46) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL3603901 0.85 MAPT (0.45) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL27611246 0.85 GSK3B (0.42) GSK3BGSK3AL3MBTL1CDK1CCNB2
SCHEMBL15972357 0.84 HRH3 (0.50) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL8040592 0.84 KAT2B (0.52) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL15971839 0.82 TXNRD1 (0.45) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4400500 0.81 GSK3B (0.39) GSK3BGSK3AL3MBTL1CDK1CCNB2
SCHEMBL3612966 0.80 POLB (0.43) GSK3BGSK3ACDK1CCNB2CCNB1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203459-B1 SPIROCYCLIC AMINOQUINOLONES AS GSK-3 INHIBITORS KYORIN SEIYAKU KK (JP) 2016-03-16 EP disclosed
US-8901112-B2 Spirocyclic aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2014-12-02 US disclosed
US-8476261-B2 Spirocyclic aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
WO-2009035684-A1 SPIROCYCLIC AMINOQUINOLONES AS GSK-3 INHIBITORS ACTIVX BIOSCIENCES, INC. (US) 2009-03-19 WO disclosed