SCHEMBL6799720

SCHEMBL6799720

CCN(CC)CCCNc1cc(-c2nc3c(C(N)=O)cccc3[nH]2)ccn1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 5/20 0.71
PIM3 Q86V86 5/20 0.71
AURKB Q96GD4 5/20 0.71
CLK4 Q9HAZ1 5/20 0.71
GSK3A P49840 4/20 0.71
DYRK1A Q13627 4/20 0.71
MKNK2 Q9HBH9 4/20 0.71
BRSK1 Q8TDC3 3/20 0.71
PRKD3 O94806 3/20 0.71
PRKCG P05129 1/20 0.71
RPS6KA3 P51812 1/20 0.71
PRKCD Q05655 1/20 0.71
STK17A Q9UEE5 4/20 0.59
MAP4K4 O95819 3/20 0.59
CLK2 P49760 3/20 0.59
PRKD2 Q9BZL6 3/20 0.59
MAP4K5 Q9Y4K4 2/20 0.59
PHKG2 P15735 2/20 0.59
KDR P35968 2/20 0.59
CHEK1 O14757 1/20 0.59

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
SCHEMBL6806960 0.95 PIM1 (0.63) PIM1PIM3AURKBCLK4GSK3A
SCHEMBL6586626 0.87 PIM1 (0.54) PIM1PIM3AURKBCLK4GSK3A
SCHEMBL6799726 0.86 GSK3A (0.52) PIM1PIM3AURKBCLK4GSK3A
SCHEMBL6806635 0.83 PIM1 (1.00) PIM1PIM3AURKBCLK4GSK3A
SCHEMBL6806475 0.82 AURKB (0.74) PIM1PIM3AURKBCLK4GSK3A
SCHEMBL6589590 0.81 PIM1 (0.47) PIM1PIM3AURKBCLK4GSK3A
SCHEMBL6809666 0.81 PIM1 (0.70) PIM1PIM3AURKBCLK4GSK3A
SCHEMBL6805706 0.81 AURKB (0.65) PIM1PIM3AURKBCLK4GSK3A
SCHEMBL6806536 0.81 PIM1 (0.65) PIM1PIM3AURKBCLK4GSK3A
SCHEMBL7141806 0.81 PIM1 (0.61) PIM1PIM3AURKBCLK4GSK3A

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