SCHEMBL6582934

SCHEMBL6582934

CCN(CC)Cc1ccn(-c2ccc(-c3nc4c(OC(N)=O)cccc4[nH]3)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 4/20 0.51
KDR P35968 2/20 0.51
MAP4K4 O95819 2/20 0.45
PIM1 P11309 2/20 0.45
CLK2 P49760 2/20 0.45
MAP4K2 Q12851 2/20 0.45
DYRK1A Q13627 2/20 0.45
PIM3 Q86V86 2/20 0.45
PRKD2 Q9BZL6 2/20 0.45
CLK4 Q9HAZ1 2/20 0.45
STK17A Q9UEE5 2/20 0.45
MAP4K5 Q9Y4K4 2/20 0.45
CHEK1 O14757 1/20 0.45
LCK P06239 1/20 0.45
CSF1R P07333 1/20 0.45
PHKG2 P15735 1/20 0.45
MARK3 P27448 1/20 0.45
FLT3 P36888 1/20 0.45
GSK3A P49840 1/20 0.45
ITK Q08881 1/20 0.45

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
SCHEMBL6580981 0.87 KDR (0.56) AURKBKDRPARP1HPSEPLA2G2A
SCHEMBL6379799 0.87 PARP1 (0.56) AURKBKDRMAP4K4PIM1CLK2
SCHEMBL6581349 0.82 AURKB (0.64) AURKBKDRPARP1AURKA
SCHEMBL6584126 0.82 AURKB (0.77) AURKBKDRPARP1AURKA
SCHEMBL6379926 0.81 PARP1 (0.58) AURKBKDRMAP4K4PIM1CLK2
SCHEMBL6581347 0.81 AURKB (0.65) AURKBKDRPARP1AURKA
SCHEMBL6580677 0.80 KDR (0.49) AURKBKDRPARP1HPSEPLA2G2A
SCHEMBL6582945 0.80 AURKB (0.47) AURKBKDRMAP4K4PIM1CLK2
SCHEMBL6586096 0.80 PARP1 (0.53) AURKBKDRMAP4K4PIM1CLK2
SCHEMBL6587289 0.80 PARP1 (0.49) AURKBKDRMAP4K4PIM1CLK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1127052-B1 SUBSTITUTED 2-PHENYLBENZIMIDAZOLES, THE PRODUCTION THEREOF AND THEIR USE ABBOTT GMBH & CO KG (DE) 2004-12-08 EP disclosed
EP-1127052-A1 SUBSTITUTED 2-PHENYLBENZIMIDAZOLES, THE PRODUCTION THEREOF AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 2001-08-29 EP disclosed
WO-2000026192-A1 SUBSTITUTED 2-PHENYLBENZIMIDAZOLES, THE PRODUCTION THEREOF AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 2000-05-11 WO disclosed