SCHEMBL6806291

SCHEMBL6806291

CN1CCN(CCCNc2cccc(-c3nc4cccc(C(N)=O)c4[nH]3)n2)CC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.76
AURKB Q96GD4 5/20 0.76
SRC P12931 4/20 0.76
PIM1 P11309 3/20 0.76
PIM3 Q86V86 3/20 0.76
MKNK2 Q9HBH9 3/20 0.76
PRKD3 O94806 2/20 0.76
GSK3A P49840 2/20 0.76
DYRK1A Q13627 2/20 0.76
CLK4 Q9HAZ1 2/20 0.76
FLT4 P35916 1/20 0.76
CLK2 P49760 1/20 0.76
PRKD2 Q9BZL6 1/20 0.76
STK17A Q9UEE5 1/20 0.76
BRSK1 Q8TDC3 2/20 0.57
FLT3 P36888 1/20 0.57
PRKCG P05129 1/20 0.49
RPS6KA3 P51812 1/20 0.49
PRKCD Q05655 1/20 0.49
PARP1 P09874 3/20 0.42

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
SCHEMBL6806572 0.87 PIM1 (0.74) KDRAURKBSRCPIM1PIM3
SCHEMBL6806290 0.86 AURKB (1.00) KDRAURKBSRCPIM1PIM3
SCHEMBL6806492 0.85 KDR (0.56) KDRAURKBSRCPIM1PIM3
SCHEMBL6806464 0.85 KDR (0.56) KDRAURKBSRCPIM1PIM3
SCHEMBL6805777 0.83 PRKD3 (0.53) KDRAURKBSRCPIM1PIM3
SCHEMBL6810748 0.82 AURKB (0.52) KDRAURKBSRCPIM1PIM3
SCHEMBL6806329 0.82 KDR (0.53) KDRAURKBSRCPIM1PIM3
SCHEMBL6806642 0.81 PIM1 (0.73) KDRAURKBSRCPIM1PIM3
SCHEMBL6805343 0.79 PIM1 (0.65) KDRAURKBSRCPIM1PIM3
SCHEMBL6810479 0.79 AURKB (0.49) KDRAURKBSRCPIM1PIM3

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