SCHEMBL3582141

SCHEMBL3582141

NCc1ccn(-c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 2/20 0.75
KDR P35968 1/20 0.75
PARP1 P09874 18/20 0.62
DHODH Q02127 1/20 0.60
PARP2 Q9UGN5 1/20 0.57
PLK4 O00444 1/20 0.57
MAPK13 O15264 1/20 0.57
DYRK3 O43781 1/20 0.57
ROCK2 O75116 1/20 0.57
RPS6KA5 O75582 1/20 0.57
PRKD3 O94806 1/20 0.57
MAP4K4 O95819 1/20 0.57
CHEK2 O96017 1/20 0.57
PIM1 P11309 1/20 0.57
PHKG2 P15735 1/20 0.57
PRKACA P17612 1/20 0.57
RPS6KB1 P23443 1/20 0.57
CSNK1D P48730 1/20 0.57
CLK2 P49760 1/20 0.57
GSK3A P49840 1/20 0.57

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
SCHEMBL3580135 0.90 AURKB (0.61) AURKBKDRPARP1DHODHPLK4
SCHEMBL3577924 0.86 AURKB (1.00) AURKBKDRPARP1DHODHPARP2
SCHEMBL7139354 0.85 PARP1 (0.83) AURKBPARP1DHODHPARP2PLK4
SCHEMBL6580981 0.85 KDR (0.56) AURKBKDRPARP1DHODHCHEK2
SCHEMBL3578622 0.85 AURKB (0.85) AURKBKDRPARP1DHODHCHEK2
SCHEMBL3582335 0.84 AURKB (0.84) AURKBKDRPARP1DHODHPARP2
SCHEMBL3577370 0.84 KDR (0.65) AURKBKDRPARP1DHODHPARP2
SCHEMBL3582143 0.83 AURKB (0.56) AURKBKDRPARP1DHODHPARP2
SCHEMBL3581919 0.83 AURKB (0.64) AURKBKDRPARP1DHODHPARP2
SCHEMBL7761999 0.83 MGAM (0.53) AURKBKDRPARP1

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