SCHEMBL6203210

SCHEMBL6203210

CCCN(CO)c1nc(Nc2ccc(C(=O)O)c(Cl)c2)c2c(n1)N(C(C)C)NN2C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 4/20 0.42
CCNE1 P24864 4/20 0.42
CDK2 P24941 4/20 0.42
CDK5 Q00535 3/20 0.42
CDK5R1 Q15078 3/20 0.42
CDK1 P06493 3/20 0.42
KDM4E B2RXH2 1/20 0.42
CCNB2 O95067 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NTRK1 P04629 1/20 0.42
INSR P06213 1/20 0.42
CCNB1 P14635 1/20 0.42
PRKACA P17612 1/20 0.42
CCNA2 P20248 1/20 0.42
PRKACG P22612 1/20 0.42
PRKACB P22694 1/20 0.42
MAPK3 P27361 1/20 0.42
CCNA1 P78396 1/20 0.42
NTRK2 Q16620 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42

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
SCHEMBL6205009 0.86 CDK5 (0.44) CCNE2CCNE1CDK2CDK5CDK5R1
SCHEMBL6203776 0.84 CDK5 (0.46) CCNE2CCNE1CDK2CDK5CDK5R1
SCHEMBL6205631 0.83 CCNE2 (0.44) CCNE2CCNE1CDK2CDK5CDK5R1
SCHEMBL6206198 0.81 CCNE2 (0.46) CCNE2CCNE1CDK2CDK1
SCHEMBL3453947 0.80 CDK5 (0.63) CCNE2CCNE1CDK2CDK5CDK5R1
SCHEMBL6203872 0.79 CDK1 (0.44) CCNE2CCNE1CDK2CDK5CDK5R1
SCHEMBL3444672 0.79 CDK5 (0.50) CCNE2CCNE1CDK2CDK5CDK5R1
SCHEMBL3444650 0.78 CDK5 (0.44) CCNE2CCNE1CDK2CDK5CDK5R1
SCHEMBL3444968 0.77 CDK5 (0.44) CCNE2CCNE1CDK2CDK5CDK5R1
SCHEMBL6203203 0.77 CDK5 (0.40) CCNE2CCNE1CDK2CDK5CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539760-A2 AZAPURINE DERIVATIVES INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) 2005-06-15 EP disclosed
WO-2004018473-A2 AZAPURINE DERIVATIVES INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) 2004-03-04 WO disclosed