SCHEMBL8072995

SCHEMBL8072995

Cn1cc(C2=C(c3cn(Cc4cccc(COS(C)(=O)=O)c4)c4ccccc34)C(=O)NC2=O)c2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.55
CDK4 P11802 1/20 0.55
CCND1 P24385 1/20 0.55
CCNE1 P24864 1/20 0.55
CDK2 P24941 1/20 0.55
PIM1 P11309 2/20 0.54
CAMK2D Q13557 1/20 0.54
PRKCA P17252 1/20 0.52
PRKACA P17612 1/20 0.52
PRKACG P22612 1/20 0.52
PRKACB P22694 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
SCHEMBL8065185 0.84 PRKCA (0.68) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL8072942 0.84 CCNE2 (0.62) CCNE2CDK4CCND1CCNE1CDK2
Hydrochloric Acid SCHEMBL8064918 0.83 PRKCA (0.67) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL8167903 0.82 CCNE2 (0.72) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL8065304 0.82 PRKCA (0.64) CCNE2CDK4CCND1CCNE1CDK2
Hydrochloric Acid SCHEMBL8064897 0.81 PRKCB (0.58) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL8161974 0.80 PIM1 (0.69) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL8080083 0.80 PRKCA (0.59) PIM1CAMK2DPRKCA
SCHEMBL8317085 0.80 PRKCA (0.59) PIM1CAMK2DPRKCA
SCHEMBL8654876 0.80 CCNE2 (0.58) CCNE2CDK4CCND1CCNE1CDK2

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-6153641-A Pharmaceutically active compounds ASTRA AKTIEBOLAG (SE) 2000-11-28 US disclosed