SCHEMBL3575207

SCHEMBL3575207

NCCCOc1cccc(-c2nc3cccc(C(N)=O)c3[nH]2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK3 O43781 1/20 0.53
MAP4K4 O95819 1/20 0.53
PIM1 P11309 1/20 0.53
RPS6KB1 P23443 1/20 0.53
CSNK2A1 P68400 1/20 0.53
PKN2 Q16513 1/20 0.53
PIM3 Q86V86 1/20 0.53
BRSK1 Q8TDC3 1/20 0.53
AURKB Q96GD4 1/20 0.53
HIPK2 Q9H2X6 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
MKNK2 Q9HBH9 1/20 0.53
STK17A Q9UEE5 1/20 0.53
MAP4K5 Q9Y4K4 1/20 0.53
CHEK2 O96017 2/20 0.52
HDAC6 Q9UBN7 11/20 0.51
HDAC3 O15379 10/20 0.51
HDAC4 P56524 10/20 0.51
HDAC1 Q13547 10/20 0.51
HDAC7 Q8WUI4 10/20 0.51

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
SCHEMBL3580302 0.94 DYRK3 (0.54) DYRK3MAP4K4PIM1RPS6KB1CSNK2A1
SCHEMBL3577822 0.86 MAP4K4 (0.72) DYRK3MAP4K4PIM1RPS6KB1CSNK2A1
SCHEMBL3578582 0.86 CHEK2 (0.56) DYRK3MAP4K4PIM1RPS6KB1CSNK2A1
SCHEMBL3577456 0.85 MAP4K4 (0.59) DYRK3MAP4K4PIM1RPS6KB1CSNK2A1
SCHEMBL31053400 0.83 PARP1 (0.67) DYRK3MAP4K4PIM1RPS6KB1CSNK2A1
SCHEMBL3575199 0.83 MAP4K4 (0.76) DYRK3MAP4K4PIM1RPS6KB1CSNK2A1
SCHEMBL3584427 0.82 DYRK3 (0.47) DYRK3MAP4K4PIM1RPS6KB1CSNK2A1
SCHEMBL7136552 0.80 PARP1 (0.52) PIM1PIM3AURKBPARP1
SCHEMBL3581473 0.79 DRD2 (0.62) CHEK2PARP1
SCHEMBL3585144 0.78 PARP1 (0.64) MAP4K4PIM1AURKBHIPK2MKNK2

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-7781596-B1 Substituted 2-phenylbenzimidazoles, the production thereof and their use ABBOTT LABORATORIES (US) 2010-08-24 US disclosed