SCHEMBL6205532

SCHEMBL6205532

CC(C)N(CCO)c1nc(Nc2ccc(Cl)c(N)c2)c2c(n1)N(C(C)C)NN2C(C)C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 3/20 0.35
CDK5R1 Q15078 3/20 0.35
ATM Q13315 1/20 0.35
CCNE2 O96020 4/20 0.33
CCNE1 P24864 4/20 0.33
CDK2 P24941 4/20 0.33
CDK1 P06493 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL6202790 0.93 CDK5 (0.35) CDK5CDK5R1ATMCCNE2CCNE1
SCHEMBL6203872 0.87 CDK1 (0.44) CDK5CDK5R1ATMCCNE2CCNE1
SCHEMBL6203387 0.87 CCNE2 (0.38) CDK5CDK5R1ATMCCNE2CCNE1
SCHEMBL6205538 0.86 CCNE2 (0.35) CDK5CDK5R1CCNE2CCNE1CDK2
SCHEMBL6206176 0.85 CDK5 (0.49) CDK5CDK5R1ATMCCNE2CCNE1
SCHEMBL6204662 0.85 CLK1 (0.41) CDK5CDK5R1ATMCCNE2CCNE1
SCHEMBL6205009 0.85 CDK5 (0.44) CDK5CDK5R1ATMCCNE2CCNE1
SCHEMBL6202083 0.83 CCNE2 (0.48) CDK5CDK5R1ATMCCNE2CCNE1
SCHEMBL6202658 0.81 CDK1 (0.44) CDK5CDK5R1ATMCCNE2CCNE1
SCHEMBL3445562 0.79 CDK5 (0.47) CDK5CDK5R1CCNE2CCNE1CDK2

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