SCHEMBL6086984

SCHEMBL6086984

CN1C(=O)c2c(n3cccc3c3[nH]c4ccc(O)cc4c23)C1=O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 8/20 0.48
WEE1 P30291 5/20 0.48
ROCK2 O75116 7/20 0.47
GSK3B P49841 3/20 0.45
CDK5 Q00535 3/20 0.45
CDK5R1 Q15078 3/20 0.45
GSK3A P49840 2/20 0.45
SRC P12931 1/20 0.43
DYRK1A Q13627 2/20 0.42
CLK1 P49759 1/20 0.42
TOP1 P11387 1/20 0.41
PRKCA P17252 3/20 0.41
MAP3K5 Q99683 2/20 0.41
IKBKB O14920 1/20 0.41
PIM1 P11309 1/20 0.41
PRKCQ Q04759 1/20 0.41
PRKCD Q05655 1/20 0.41
ROCK1 Q13464 1/20 0.41

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
SCHEMBL6081666 0.87 CDK4 (0.46) CHEK1WEE1GSK3BCDK5CDK5R1
SCHEMBL6081548 0.87 CDK4 (0.39) CHEK1WEE1ROCK2PRKCA
SCHEMBL6080838 0.85 ROCK2 (0.48) ROCK2GSK3BCDK5CDK5R1GSK3A
SCHEMBL6081478 0.83 ROCK2 (0.64) CHEK1WEE1ROCK2GSK3BCDK5
SCHEMBL6080842 0.81 CHEK1 (0.52) CHEK1
SCHEMBL8498825 0.70 CHEK1 (0.79) CHEK1ROCK2CDK5CDK5R1PRKCA
SCHEMBL6081058 0.70 CDK4 (0.50) CHEK1WEE1ROCK2GSK3BCDK5
SCHEMBL6080935 0.69 CDK4 (0.60) CHEK1WEE1ROCK2GSK3BCDK5
SCHEMBL10075906 0.68 CHEK1 (0.52) CHEK1WEE1ROCK2GSK3BCDK5
SCHEMBL6080997 0.66 CDK4 (0.61) CHEK1GSK3BCDK5CDK5R1GSK3A

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-20060004428-A1 Pyrrolo (3,4-c) carbazole and pyrido (2,3-b) pyrrolo (3,4-e) indole derivatives, preparation method and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2006-01-05 US disclosed