SCHEMBL6809679

SCHEMBL6809679

CCN(CC)CCCNc1ncccc1-c1nc2cccc(C(N)=O)c2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 3/20 0.51
PIM1 P11309 2/20 0.51
DYRK1A Q13627 2/20 0.51
PIM3 Q86V86 2/20 0.51
AURKB Q96GD4 2/20 0.51
CLK4 Q9HAZ1 2/20 0.51
PRKD3 O94806 1/20 0.51
PRKCG P05129 1/20 0.51
RPS6KA3 P51812 1/20 0.51
PRKCD Q05655 1/20 0.51
BRSK1 Q8TDC3 1/20 0.51
MKNK2 Q9HBH9 1/20 0.51
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KIT P10721 2/20 0.42
TSHR P16473 1/20 0.40
GAA P10253 1/20 0.39
TOP2A P11388 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
SCHEMBL6799887 0.91 KDM4E (0.44) GSK3APIM1DYRK1APIM3AURKB
SCHEMBL6809666 0.85 PIM1 (0.70) GSK3APIM1DYRK1APIM3AURKB
SCHEMBL6806642 0.82 PIM1 (0.73) GSK3APIM1DYRK1APIM3AURKB
SCHEMBL6805777 0.82 PRKD3 (0.53) GSK3APIM1DYRK1APIM3AURKB
SCHEMBL6807423 0.82 PIM1 (0.45) GSK3APIM1DYRK1APIM3AURKB
SCHEMBL6811032 0.81 PIM1 (0.45) GSK3APIM1DYRK1APIM3AURKB
SCHEMBL6799726 0.81 GSK3A (0.52) GSK3APIM1DYRK1APIM3AURKB
SCHEMBL6805548 0.81 PIM1 (0.45) GSK3APIM1DYRK1APIM3AURKB
SCHEMBL6803660 0.80 PIM1 (0.46) GSK3APIM1DYRK1APIM3AURKB
SCHEMBL6805712 0.80 PIM1 (0.47) GSK3APIM1DYRK1APIM3AURKB

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
US-6696437-B1 Heterocyclically substituted benzimidazoles, the production and application thereof ABBOTT GMBH & CO. KG (DE) 2004-02-24 US disclosed