SCHEMBL8316744

SCHEMBL8316744

Fc1cccc(Nc2ncnc3cnc(N4CCCC4)nc23)c1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRAF P15056 14/20 0.54
EGFR P00533 6/20 0.51
ERBB2 P04626 1/20 0.51
MAPT P10636 1/20 0.51
ABCG2 Q9UNQ0 1/20 0.50

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
SCHEMBL8317331 0.90 BRAF (0.56) BRAFEGFRERBB2MAPT
SCHEMBL8320421 0.87 EGFR (0.65) BRAFEGFR
SCHEMBL8318487 0.87 EGFR (0.65) BRAFEGFR
SCHEMBL8318927 0.87 LMNA (0.54) BRAFEGFRERBB2MAPT
SCHEMBL8314285 0.86 BRAF (0.62) BRAFEGFR
SCHEMBL8314169 0.86 EGFR (0.64) BRAFEGFR
SCHEMBL8313771 0.84 EGFR (0.65) BRAFEGFR
SCHEMBL8314998 0.84 BRAF (0.51) BRAFEGFRERBB2MAPT
SCHEMBL8316917 0.83 EGFR (0.71) BRAFEGFRERBB2MAPT
SCHEMBL8318906 0.82 ABCG2 (0.54) BRAFEGFRABCG2

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-0779888-B1 PYRIMIDO [5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA (DE) 1999-04-28 EP disclosed
EP-0779888-A1 PYRIMIDO [5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1997-06-25 EP disclosed
WO-1996007657-A1 PYRIMIDO[5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1996-03-14 WO disclosed