SCHEMBL6203387

SCHEMBL6203387

CC(C)N(CCO)c1nc(Nc2ccc(Cl)cc2)c2c(n1)N(C(C)C)NN2C(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 4/20 0.38
CCNE1 P24864 4/20 0.38
CDK2 P24941 4/20 0.38
CDK1 P06493 1/20 0.38
HTR2C P28335 2/20 0.37
HTR2A P28223 1/20 0.36
CDK5 Q00535 1/20 0.36
ATM Q13315 1/20 0.36
CDK5R1 Q15078 1/20 0.36
P2RX3 P56373 5/20 0.34
CCR4 P51679 1/20 0.32
TACR2 P21452 3/20 0.32
CRHR1 P34998 1/20 0.31
LRRK2 Q5S007 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL6202083 0.90 CCNE2 (0.48) CCNE2CCNE1CDK2CDK1HTR2C
SCHEMBL6206176 0.89 CDK5 (0.49) CCNE2CCNE1CDK2CDK1HTR2C
SCHEMBL6202790 0.87 CDK5 (0.35) CCNE2CCNE1CDK2CDK1CDK5
SCHEMBL6205532 0.87 CDK5 (0.35) CCNE2CCNE1CDK2CDK1CDK5
SCHEMBL6204662 0.87 CLK1 (0.41) CCNE2CCNE1CDK2CDK1CDK5
SCHEMBL6203872 0.85 CDK1 (0.44) CCNE2CCNE1CDK2CDK1CDK5
SCHEMBL6205009 0.85 CDK5 (0.44) CCNE2CCNE1CDK2CDK1CDK5
SCHEMBL6202658 0.82 CDK1 (0.44) CCNE2CCNE1CDK2CDK1CDK5
SCHEMBL6201113 0.78 CDK1 (0.46) CCNE2CCNE1CDK2CDK1CDK5
SCHEMBL6203391 0.78 CCNE2 (0.31) CCNE2CCNE1CDK2CDK1CDK5

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 4 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 claimed
WO-2004018473-A2 AZAPURINE DERIVATIVES INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) 2004-03-04 WO claimed
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