SCHEMBL7468539

SCHEMBL7468539

Fc1cccc(Nc2nccc(-c3ccncc3)n2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 9/20 0.71
BCR P11274 8/20 0.71
SRC P12931 3/20 0.71
PRKCA P17252 5/20 0.64
PIK3CG P48736 5/20 0.62
PIK3CA P42336 3/20 0.62
CDK4 P11802 1/20 0.59
CDK2 P24941 1/20 0.59
CDC7 O00311 1/20 0.56
CDK19 Q9BWU1 1/20 0.56
PRKCD Q05655 3/20 0.54
EGFR P00533 2/20 0.54
PIK3CB P42338 2/20 0.54
PRKACA P17612 1/20 0.54
PRKACG P22612 1/20 0.54
PRKACB P22694 1/20 0.54
CYP1A1 P04798 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP1B1 Q16678 1/20 0.54
PDGFRB P09619 1/20 0.53

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
SCHEMBL27116472 0.86 CDK2 (0.57) ABL1BCRSRCPRKCAPIK3CG
SCHEMBL7461678 0.86 ABL1 (0.73) ABL1BCRSRCPRKCAPRKCD
SCHEMBL27115951 0.86 PIK3CG (0.62) ABL1BCRSRCPIK3CGPIK3CA
SCHEMBL7467324 0.83 ABL1 (0.76) ABL1BCRSRCPRKCAPIK3CG
SCHEMBL1789 0.83 ABL1 (1.00) ABL1BCRSRCPRKCAPIK3CG
SCHEMBL4899574 0.83 ABL1 (0.76) ABL1BCRSRCPRKCACDK4
SCHEMBL4736185 0.83 PIK3CG (0.80) ABL1BCRPIK3CGPIK3CACDK4
SCHEMBL4901590 0.83 ABL1 (0.67) ABL1BCRSRCPRKCACDK4
SCHEMBL4732256 0.83 PLK1 (0.59) ABL1BCRSRCPRKCAPIK3CG
SCHEMBL7467852 0.82 PIK3CA (0.65) ABL1BCRSRCPRKCAPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0233461-B2 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID CO (US) 2002-05-29 EP disclosed