SCHEMBL7110933

SCHEMBL7110933

NC1CCC(Nc2nc(Nc3cccc(C(=O)O)c3)c3nc[nH]c3n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 6/20 0.47
CSNK2A2 P19784 5/20 0.47
CSNK2B P67870 5/20 0.47
CDK2 P24941 5/20 0.47
CCNE1 P24864 4/20 0.47
PDGFRA P16234 4/20 0.47
CCNE2 O96020 1/20 0.46
CCNA2 P20248 1/20 0.46
CCNA1 P78396 1/20 0.46
CDK1 P06493 6/20 0.46
PRKCA P17252 1/20 0.46
SRC P12931 1/20 0.46
FLT3 P36888 1/20 0.46
CSNK2A3 Q8NEV1 1/20 0.46
TOP2A P11388 1/20 0.45
MAPK8 P45983 1/20 0.45
MAPK9 P45984 1/20 0.45
PAK4 O96013 1/20 0.44

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
SCHEMBL7110928 1.00 CSNK2A1 (0.47) CSNK2A1CSNK2A2CSNK2BCDK2CCNE1
SCHEMBL5891718 0.88 FLT3 (0.53) CSNK2A1CSNK2A2CSNK2BCDK2CCNE1
SCHEMBL5891707 0.88 FLT3 (0.53) CSNK2A1CSNK2A2CSNK2BCDK2CCNE1
SCHEMBL4889912 0.87 MAPKAPK2 (0.55) CDK2CCNE1PDGFRACDK1PRKCA
SCHEMBL4889926 0.87 MAPKAPK2 (0.55) CDK2CCNE1PDGFRACDK1PRKCA
SCHEMBL5840603 0.84 CDK1 (0.62) CSNK2A1CSNK2A2CSNK2BCDK2CCNE1
SCHEMBL5840595 0.84 CDK1 (0.62) CSNK2A1CSNK2A2CSNK2BCDK2CCNE1
SCHEMBL4890517 0.83 PDGFRA (0.49) CSNK2A1CSNK2A2CSNK2BCDK2CCNE1
SCHEMBL4890532 0.83 PDGFRA (0.49) CSNK2A1CSNK2A2CSNK2BCDK2CCNE1
SCHEMBL4898746 0.82 FLT3 (0.62) CDK2CCNE1PDGFRACDK1FLT3

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-1347975-A1 NOVEL PURINE DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES Aventis Pharma S.A. (FR) 2003-10-01 EP claimed
WO-2002051843-A1 NOVEL PURINE DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES AVENTIS PHARMA S.A. (FR) 2002-07-04 WO claimed
EP-1347975-A1 NOVEL PURINE DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES Aventis Pharma S.A. (FR) 2003-10-01 EP disclosed
WO-2002051843-A1 NOVEL PURINE DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES AVENTIS PHARMA S.A. (FR) 2002-07-04 WO disclosed