SCHEMBL7436172

SCHEMBL7436172

CCOC(=O)c1cnc2c(cnn2C2CCCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.46
CDK6 Q00534 1/20 0.46
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 2/20 0.44
PDE4B Q07343 2/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
PDE7A Q13946 1/20 0.43
POLB P06746 1/20 0.42
P2RY12 Q9H244 1/20 0.41
CCND1 P24385 3/20 0.41
CCND2 P30279 1/20 0.41
CCND3 P30281 1/20 0.41
CSNK1D P48730 1/20 0.40
PIK3CA P42336 1/20 0.40
PDE9A O76083 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CHRNB2 P17787 1/20 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
SCHEMBL31403565 0.85 CDK4 (0.41) CDK4CDK6ALDH1A1MAPK1CCND1
SCHEMBL31403524 0.78 HCAR3 (0.43) CDK4CDK6CCND1PDE9AAURKA
SCHEMBL1355934 0.76 AURKA (0.58) CDK4CDK6CCND1CCND3CYP2C9
SCHEMBL12498824 0.74 EZH2 (0.57) CDK4ALDH1A1PDE4BMAPTCCND1
SCHEMBL574443 0.73 LMNA (0.53) ALDH1A1MAPK1PDE4BMAPTPOLB
SCHEMBL12498746 0.73 EZH2 (0.56) ALDH1A1PDE4BMAPTPDE9ANPSR1
SCHEMBL30984286 0.72 LMNA (0.52) ALDH1A1MAPK1PDE4BMAPTPOLB
SCHEMBL13848928 0.72 LMNA (0.55) ALDH1A1MAPK1PDE4BMAPTPDE7A
SCHEMBL12499903 0.71 EZH2 (0.55) CDK4PDE4BCCND1CCND2CCND3
SCHEMBL1406792 0.71 LMNA (0.51) ALDH1A1MAPK1PDE4BMAPTPOLB

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
EP-0355234-A1 Pyrazolopyridine derivatives as antiatherosclerotic and antihypercholesterolemic agents MERRELL DOW PHARMACEUTICALS INC. (US) 1990-02-28 EP disclosed