SCHEMBL4943018

SCHEMBL4943018

Bc1ccc(-n2nc3cc([N+](=O)[O-])c(C4CC4)cc3c2C(=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.39
AURKA O14965 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CDK8 P49336 1/20 0.39
NEK2 P51955 1/20 0.39
LIMK1 P53667 1/20 0.39
CDK5 Q00535 1/20 0.39
DYRK1A Q13627 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39

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
SCHEMBL9105334 0.90 CHEK1 (0.39) CHEK1AURKACSNK1A1CDK8NEK2
SCHEMBL15313276 0.90 MEN1 (0.40) CHEK1AURKACSNK1A1CDK8NEK2
SCHEMBL9108371 0.78
SCHEMBL9108861 0.78
SCHEMBL2720819 0.72 CHEK1 (0.42) CHEK1AURKACSNK1A1CDK8NEK2
SCHEMBL2724848 0.71 KDM1A (0.32)
SCHEMBL15313204 0.71 VCAM1 (0.36)
SCHEMBL4947969 0.69
SCHEMBL15312915 0.68
SCHEMBL9109244 0.68 HSPB1 (0.39)

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
WO-2012051659-A1 VIRAL POLYMERASE INHIBITORS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2012-04-26 WO disclosed