SCHEMBL6203887

SCHEMBL6203887

CC(C)N(CCO)c1nc(N[C@@H](CO)c2ccccc2)c2c(n1)N(C(C)C)NN2C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CDK1 P06493 5/20 0.36
CDK5 Q00535 3/20 0.36
CCNE2 O96020 3/20 0.34
CCNE1 P24864 3/20 0.34
CDK2 P24941 3/20 0.34
EGFR P00533 8/20 0.33
USP1 O94782 1/20 0.33
WDR48 Q8TAF3 1/20 0.33
CRHR1 P34998 1/20 0.33
DYRK3 O43781 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CLK1 P49759 1/20 0.32
CLK3 P49761 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
DYRK2 Q92630 1/20 0.32

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
SCHEMBL6201113 0.82 CDK1 (0.46) CDK1CDK5CCNE2CCNE1CDK2
SCHEMBL3444121 0.81 LMNA (0.43) LMNAHPGDSMN1; SMN2CDK1CDK5
SCHEMBL3444290 0.79 CDK5 (0.42) LMNAHPGDSMN1; SMN2CDK1CDK5
SCHEMBL6203387 0.77 CCNE2 (0.38) CDK1CDK5CCNE2CCNE1CDK2
SCHEMBL6202083 0.77 CCNE2 (0.48) CDK1CDK5CCNE2CCNE1CDK2
SCHEMBL6016497 0.76 CDK2 (0.59) CDK1CDK5CCNE2CCNE1CDK2
SCHEMBL6016661 0.76 CDK2 (0.59) CDK1CDK5CCNE2CCNE1CDK2
SCHEMBL6206176 0.76 CDK5 (0.49) HPGDCDK1CDK5CCNE2CCNE1
SCHEMBL6203858 0.74 LMNA (0.35) LMNAHPGDSMN1; SMN2CDK1CDK5
SCHEMBL6202790 0.74 CDK5 (0.35) CDK1CDK5CCNE2CCNE1CDK2

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