SCHEMBL6804602

SCHEMBL6804602

CCN(CC)CCn1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.63
GSK3A P49840 3/20 0.63
DYRK1A Q13627 3/20 0.63
PIM3 Q86V86 3/20 0.63
AURKB Q96GD4 3/20 0.63
CLK4 Q9HAZ1 3/20 0.63
MAP4K4 O95819 2/20 0.63
PHKG2 P15735 2/20 0.63
CLK2 P49760 2/20 0.63
PRKD2 Q9BZL6 2/20 0.63
STK17A Q9UEE5 2/20 0.63
CHEK1 O14757 1/20 0.63
LCK P06239 1/20 0.63
CSF1R P07333 1/20 0.63
MARK3 P27448 1/20 0.63
KDR P35968 1/20 0.63
FLT3 P36888 1/20 0.63
ITK Q08881 1/20 0.63
MAP4K2 Q12851 1/20 0.63
MARK2 Q7KZI7 1/20 0.63

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
SCHEMBL6586851 0.85 PIM1 (0.48) PIM1GSK3ADYRK1APIM3AURKB
SCHEMBL6804607 0.84 PARP1 (0.45) PIM1GSK3ADYRK1APIM3AURKB
SCHEMBL6806421 0.82 PIM1 (0.58) PIM1GSK3ADYRK1APIM3AURKB
SCHEMBL7140618 0.78 PARP1 (0.70) PIM1GSK3ADYRK1APIM3AURKB
SCHEMBL6810593 0.78 PIM1 (0.61) PIM1GSK3ADYRK1APIM3AURKB
SCHEMBL6810278 0.78 PIM1 (0.54) PIM1GSK3ADYRK1APIM3AURKB
SCHEMBL3575237 0.78 MAP4K4 (1.00) PIM1GSK3ADYRK1APIM3AURKB
SCHEMBL29179981 0.78 PARP1 (0.79) PIM1GSK3ADYRK1APIM3AURKB
SCHEMBL6803442 0.77 CHEK1 (0.68) PIM1GSK3ADYRK1APIM3AURKB
SCHEMBL3575812 0.77 PIM1 (0.90) PIM1GSK3ADYRK1APIM3AURKB

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