SCHEMBL8075637

SCHEMBL8075637

Cn1cc(C2=C(c3cn(Cc4ccccc4CBr)c4ccccc34)C(=O)OC2=O)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 2/20 0.50
CDK9 P50750 2/20 0.50
PIM1 P11309 2/20 0.47
CAMK2D Q13557 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.47
CCNE2 O96020 2/20 0.47
CDK4 P11802 2/20 0.47
CCND1 P24385 2/20 0.47
CCNE1 P24864 2/20 0.47
CDK2 P24941 2/20 0.47
PRKCA P17252 1/20 0.46
PRKACA P17612 1/20 0.46
PRKACG P22612 1/20 0.46
PRKACB P22694 1/20 0.46
GSK3B P49841 1/20 0.45

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
SCHEMBL8166629 0.82 PIM1 (0.59) CCNT1CDK9PIM1CAMK2DSIRT2
SCHEMBL3155154 0.79 CCNT1 (0.58) CCNT1CDK9PIM1CAMK2DCCNE2
SCHEMBL30834692 0.77 CCNT1 (0.56) CCNT1CDK9PIM1CAMK2DSIRT2
SCHEMBL8161831 0.76 CCNT1 (0.64) CCNT1CDK9PIM1CAMK2DCDK2
SCHEMBL8075731 0.76 PIM1 (0.70) PIM1CAMK2DCCNE2CDK4CCND1
SCHEMBL8073176 0.76 CCNT1 (0.47) CCNT1CDK9PIM1CAMK2DSIRT2
SCHEMBL8161873 0.74 CCNT1 (0.52) CCNT1CDK9PIM1CAMK2DCDK2
SCHEMBL8162035 0.74 PRKACA (0.59) CCNT1CDK9PIM1CAMK2DCDK2
SCHEMBL8079950 0.73 CCNT1 (0.41) CCNT1CDK9PIM1CAMK2DSIRT2
SCHEMBL8161267 0.72 CDK2 (0.56) CCNT1CDK9CCNE2CDK4CCND1

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