SCHEMBL3580135

SCHEMBL3580135

NCc1ccn(-c2cccc(-c3nc4c(C(N)=O)cccc4[nH]3)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 2/20 0.61
KDR P35968 1/20 0.61
PARP1 P09874 17/20 0.61
DHODH Q02127 1/20 0.55
PKN1 Q16512 2/20 0.52
PKN2 Q16513 2/20 0.52
PLK4 O00444 1/20 0.52
MAPK13 O15264 1/20 0.52
DYRK3 O43781 1/20 0.52
ROCK2 O75116 1/20 0.52
RPS6KA5 O75582 1/20 0.52
PRKD3 O94806 1/20 0.52
MAP4K4 O95819 1/20 0.52
CHEK2 O96017 1/20 0.52
PIM1 P11309 1/20 0.52
PHKG2 P15735 1/20 0.52
PRKACA P17612 1/20 0.52
RPS6KB1 P23443 1/20 0.52
CSNK1D P48730 1/20 0.52
CLK2 P49760 1/20 0.52

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
SCHEMBL3582141 0.90 AURKB (0.75) AURKBKDRPARP1DHODHPKN1
SCHEMBL6581641 0.85 AURKB (0.46) AURKBKDRPARP1PKN2DYRK3
SCHEMBL13225614 0.85 PARP1 (0.62) AURKBKDRPARP1DHODHPKN2
SCHEMBL3586249 0.85 KDR (0.54) AURKBKDRPARP1DHODH
SCHEMBL3576435 0.84 PARP1 (0.58) AURKBKDRPARP1DHODHPKN1
SCHEMBL3580139 0.84 AURKB (0.46) AURKBKDRPARP1DHODHPIM1
SCHEMBL7135042 0.83 PARP1 (0.82) AURKBPARP1DHODHPKN1PKN2
SCHEMBL3584741 0.81 PARP1 (0.59) AURKBPARP1DHODHPKN1PKN2
SCHEMBL7139354 0.79 PARP1 (0.83) AURKBPARP1DHODHPKN1PKN2
SCHEMBL7136544 0.76 PARP1 (0.78) AURKBPARP1DHODHPKN1PKN2

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