SCHEMBL6203534

SCHEMBL6203534

CC(C)N(CCO)c1nc(Nc2ccc(Br)cc2)c2[nH]nnc2n1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 5/20 0.46
CCNE1 P24864 5/20 0.46
CDK2 P24941 5/20 0.46
CDK1 P06493 3/20 0.33
SRC P12931 2/20 0.32
FLT3 P36888 2/20 0.32
HTR2A P28223 3/20 0.32
HTR2C P28335 2/20 0.32
MAPK1 P28482 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
DRD3 P35462 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
SCHEMBL6205187 0.90 HTR2C (0.42) CCNE2CCNE1CDK2CDK1SRC
SCHEMBL6204529 0.89 CCNE2 (0.44) CCNE2CCNE1CDK2CDK1SRC
SCHEMBL6204587 0.82 BRAF (0.35) CCNE2CCNE1CDK2HTR2AHTR2C
SCHEMBL6204246 0.82 BRAF (0.35) CCNE2CCNE1CDK2HTR2AHTR2C
SCHEMBL6202531 0.82 CDK5 (0.46) CCNE2CCNE1CDK2CDK1SRC
SCHEMBL6204848 0.80 CDK5 (0.40) CCNE2CCNE1CDK2CDK1
SCHEMBL6205471 0.80 CDK5 (0.40) CCNE2CCNE1CDK2CDK1
SCHEMBL6204534 0.80 CLK1 (0.36) CDK1MAPK1
SCHEMBL6204147 0.80 CCNE2 (0.40) CCNE2CCNE1CDK2SRCFLT3
SCHEMBL6201142 0.77 CDK1 (0.46) CCNE2CCNE1CDK2CDK1

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