SCHEMBL5779896

SCHEMBL5779896

CCCC(O)c1c(Cl)cnn(-c2cc(-c3ccnc(Nc4cccc(Cl)c4)n3)ccn2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 4/20 0.49
CDK1 P06493 3/20 0.49
SMG1 Q96Q15 3/20 0.49
MAPT P10636 2/20 0.49
ABL1 P00519 2/20 0.48
BCR P11274 2/20 0.48
PRKCA P17252 1/20 0.48
PRKCD Q05655 1/20 0.48
MAPK1 P28482 4/20 0.46
NPC1 O15118 1/20 0.46
CCNT1 O60563 1/20 0.46
CDK4 P11802 1/20 0.46
CCNB1 P14635 1/20 0.46
XBP1 P17861 1/20 0.46
CCNA2 P20248 1/20 0.46
CCND1 P24385 1/20 0.46
CCNE1 P24864 1/20 0.46
MTOR P42345 1/20 0.46
HTT P42858 1/20 0.46
CDK7 P50613 1/20 0.46

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
SCHEMBL5632285 0.83 CDK2 (0.59) CDK2CDK1SMG1MAPTABL1
SCHEMBL14527056 0.83 SMG1 (0.53) CDK2CDK1SMG1MAPTABL1
SCHEMBL5631117 0.80 CDK2 (0.53) CDK2CDK1SMG1MAPTABL1
SCHEMBL5629944 0.80 CDK2 (0.53) CDK2CDK1SMG1MAPTABL1
SCHEMBL5630483 0.78 CDK2 (0.54) CDK2CDK1SMG1MAPTABL1
SCHEMBL5629931 0.77 SMG1 (0.56) CDK2CDK1SMG1MAPTABL1
SCHEMBL5779080 0.76 CDK2 (0.54) CDK2CDK1SMG1MAPTABL1
SCHEMBL14527047 0.74 CDK2 (0.52) CDK2CDK1SMG1MAPTABL1
SCHEMBL6109242 0.73 CDK2 (0.62) CDK2CDK1SMG1MAPTABL1
SCHEMBL5628934 0.73 CDK2 (0.55) CDK2CDK1SMG1MAPTABL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1471786-B1 MICROBIOCIDAL N-PHENYL-N- 4-(4-PYRIDYL)-2-PYRIMIDIN-2-YL|-AMINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2006-12-27 EP disclosed
EP-1471786-A1 MICROBIOCIDAL N-PHENYL-N- 4-(4-PYRIDYL)-2-PYRIMIDIN-2-YL]-AMINE DERIVATIVES Syngenta Participations AG (CH) 2004-11-03 EP disclosed
WO-2003047347-A1 MICROBIOCIDAL N-PHENYL-N-[4-(4-PYRIDYL)-2-PYRIMIDIN-2-YL]-AMINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2003-06-12 WO disclosed