SCHEMBL5418834

SCHEMBL5418834

c1cc2c(cnn2-c2nnc(-c3ccc4[nH]nc(C5CCCCC5)c4c3)[nH]2)cc1-c1nnc(CN2CCCC2)[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.37
DYRK1A Q13627 12/20 0.34
CLK2 P49760 7/20 0.34
CLK3 P49761 7/20 0.34
WNT1 P04628 5/20 0.34
GSK3B P49841 3/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
ROCK2 O75116 1/20 0.33
CHEK2 O96017 1/20 0.33
CDK1 P06493 1/20 0.33
PRKACA P17612 1/20 0.33
CDK2 P24941 1/20 0.33
MARK3 P27448 1/20 0.33
GSK3A P49840 1/20 0.33
RPS6KA3 P51812 1/20 0.33
LIMK1 P53667 1/20 0.33
CDK5 Q00535 1/20 0.33
ROCK1 Q13464 1/20 0.33
CHEK1 O14757 2/20 0.33

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
SCHEMBL8256328 0.86 CSNK1D (0.44) CSNK1DDYRK1ACLK2CLK3WNT1
SCHEMBL8255894 0.73 CSNK1D (0.64) CSNK1DDYRK1ACLK2CLK3WNT1
SCHEMBL8259055 0.72 CDC7 (0.37) CSNK1DDYRK1ACLK2CLK3WNT1
SCHEMBL13876986 0.68 CSNK1D (0.61) CSNK1DDYRK1ACLK2CLK3WNT1
SCHEMBL13812056 0.68 CSNK1D (0.51) CSNK1DDYRK1ACLK2CLK3WNT1
SCHEMBL5377563 0.67 DYRK1A (0.52) CSNK1DDYRK1ACLK2CLK3WNT1
SCHEMBL8257531 0.67 CSNK1D (0.44) CSNK1DDYRK1ACLK2CLK3WNT1
SCHEMBL5394703 0.66 CSNK1D (0.53) CSNK1DDYRK1ACLK2CLK3WNT1
SCHEMBL5381396 0.64 CSNK1D (0.48) CSNK1DDYRK1ACLK2CLK3WNT1
SCHEMBL8252735 0.63 CSNK1D (0.46) CSNK1DDYRK1ACLK2CLK3WNT1

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-7211594-B2 Indazole compounds and compositions thereof as JNK inhibitors and for the treatment of diseases associated therewith SIGNAL PHARMACEUTICALS, LLC (US) 2007-05-01 US disclosed