SCHEMBL8064786

SCHEMBL8064786

COc1ccc(CO)cc1Cn1cc(C2=C(c3cn(C)c4ccccc34)C(=O)NC2=O)c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.59
PRKCA P17252 3/20 0.59
KDR P35968 3/20 0.56
FLT3 P36888 2/20 0.56
CCNE2 O96020 2/20 0.56
CDK4 P11802 2/20 0.56
CCND1 P24385 2/20 0.56
CCNE1 P24864 2/20 0.56
CDK2 P24941 2/20 0.56
PIM1 P11309 1/20 0.53
CAMK2D Q13557 1/20 0.53

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
Hydrochloric Acid SCHEMBL8075396 0.90 PRKCA (0.59) GSK3BPRKCAKDRFLT3PIM1
SCHEMBL8073838 0.84 CCNE2 (0.66) GSK3BPRKCACCNE2CDK4CCND1
SCHEMBL8072942 0.83 CCNE2 (0.62) GSK3BPRKCACCNE2CDK4CCND1
SCHEMBL8073162 0.83 KDR (0.59) GSK3BPRKCAKDRFLT3CCNE2
SCHEMBL6947545 0.81 CCNE2 (0.71) PRKCACCNE2CDK4CCND1CCNE1
SCHEMBL8064917 0.79 GSK3B (0.58) GSK3BPRKCAKDRFLT3CCNE2
SCHEMBL8074992 0.78 PRKCA (0.63) PRKCACCNE2CDK4CCND1CCNE1
SCHEMBL8167903 0.78 CCNE2 (0.72) GSK3BPRKCACCNE2CDK4CCND1
Hydrochloric Acid SCHEMBL8073807 0.77 PRKCB (0.68) PRKCACCNE2CDK4CCND1CCNE1
Hydrochloric Acid SCHEMBL8065191 0.77 PRKCA (0.62) PRKCACCNE2CDK4CCND1CCNE1

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