SCHEMBL8073012

SCHEMBL8073012

CC(=O)OCc1cccc(Cn2cc(C3=C(c4cn(C)c5ccccc45)C(=O)OC3=O)c3ccccc32)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.47
CCNT1 O60563 3/20 0.45
CDK9 P50750 3/20 0.45
CDK2 P24941 2/20 0.42
CCNA2 P20248 1/20 0.42
F2RL3 Q96RI0 1/20 0.42
GSK3B P49841 3/20 0.41
GSK3A P49840 1/20 0.41
CCNE2 O96020 1/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CCNE1 P24864 1/20 0.41
PIM1 P11309 1/20 0.41
CAMK2D Q13557 1/20 0.41
PRKCA P17252 2/20 0.40

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
SCHEMBL8161873 0.81 CCNT1 (0.52) CCNT1CDK9CDK2CCNA2GSK3B
SCHEMBL8162860 0.80 CCNT1 (0.53) SIRT2CCNT1CDK9CDK2CCNA2
SCHEMBL8078243 0.79 CCNT1 (0.38) SIRT2CCNT1CDK9CDK2CCNA2
SCHEMBL6951956 0.75 CCNE2 (0.62) CDK2GSK3BGSK3ACCNE2CDK4
SCHEMBL8072942 0.75 CCNE2 (0.62) CDK2GSK3BCCNE2CDK4CCND1
SCHEMBL30834692 0.74 CCNT1 (0.56) SIRT2CCNT1CDK9CDK2CCNA2
SCHEMBL8072995 0.74 CCNE2 (0.55) CDK2CCNE2CDK4CCND1CCNE1
SCHEMBL3155154 0.74 CCNT1 (0.58) CCNT1CDK9CDK2CCNA2CCNE2
SCHEMBL8161831 0.74 CCNT1 (0.64) CCNT1CDK9CDK2CCNA2PIM1
SCHEMBL8162035 0.73 PRKACA (0.59) CCNT1CDK9CDK2CCNA2PIM1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6153641-A Pharmaceutically active compounds ASTRA AKTIEBOLAG (SE) 2000-11-28 US disclosed
EP-0925296-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS Astra Aktiebolag (SE) 1999-06-30 EP disclosed
WO-1998011102-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRA AKTIEBOLAG (SE) 1998-03-19 WO disclosed