SCHEMBL6201113

SCHEMBL6201113

CC(C)N(CCO)c1nc(NCc2ccccc2)c2c(n1)N(C(C)C)NN2C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 11/20 0.46
CDK5 Q00535 6/20 0.46
CDK2 P24941 8/20 0.44
CCNE2 O96020 6/20 0.44
CCNE1 P24864 6/20 0.44
CSNK1D P48730 1/20 0.39
CLK2 P49760 1/20 0.39
DYRK1A Q13627 1/20 0.39
HIPK4 Q8NE63 1/20 0.39
SRPK1 Q96SB4 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
CCNB1 P14635 6/20 0.39
TDP1 Q9NUW8 2/20 0.38
CCNB2 O95067 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
PDE5A O76074 3/20 0.38
PDE4D Q08499 3/20 0.38
PDE6C P51160 2/20 0.38
CCNT1 O60563 1/20 0.38
CCNA2 P20248 1/20 0.38

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
SCHEMBL6203737 0.86 CDK1 (0.36) CDK1CDK5CDK2CCNE2CCNE1
SCHEMBL6205622 0.84 CCNE2 (0.35) CDK1CDK5CDK2CCNE2CCNE1
SCHEMBL6205538 0.84 CCNE2 (0.35) CDK1CDK5CDK2CCNE2CCNE1
SCHEMBL6205006 0.83 CDK1 (0.44) CDK1CDK5CDK2CCNE2CCNE1
SCHEMBL6203887 0.82 LMNA (0.38) CDK1CDK5CDK2CCNE2CCNE1
SCHEMBL6203788 0.82 CCNE2 (0.32) CDK1CDK5CDK2CCNE2CCNE1
SCHEMBL6204218 0.82 CCNE2 (0.30) CDK1CDK5CDK2CCNE2CCNE1
SCHEMBL6203391 0.81 CCNE2 (0.31) CDK1CDK5CDK2CCNE2CCNE1
SCHEMBL6202735 0.81 CCNE1 (0.44) CDK2CCNE2CCNE1CCNT1CDK9
SCHEMBL6205419 0.80 CCNE1 (0.36) CDK1CDK5CDK2CCNE2CCNE1

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