SCHEMBL8316706

SCHEMBL8316706

Cc1cccc(Nc2ncnc3cnc(N4CCC(NC=O)CC4)nc23)c1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.54
ERBB2 P04626 2/20 0.48
MAPT P10636 1/20 0.48
BRAF P15056 12/20 0.47
KHK P50053 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
SCHEMBL8315543 0.86 BRAF (0.55) EGFRERBB2MAPTBRAF
SCHEMBL8319198 0.86 EGFR (0.56) EGFRERBB2MAPTBRAF
SCHEMBL8317375 0.86 EGFR (0.62) EGFRERBB2MAPTBRAFKHK
SCHEMBL8316302 0.86 EGFR (0.59) EGFRERBB2MAPTBRAFKHK
SCHEMBL8318488 0.85 EGFR (0.54) EGFRERBB2MAPTBRAFKHK
SCHEMBL8314521 0.85 BRAF (0.53) EGFRERBB2MAPTBRAF
SCHEMBL8313771 0.84 EGFR (0.65) EGFRBRAF
SCHEMBL8320421 0.84 EGFR (0.65) EGFRBRAF
SCHEMBL8315976 0.84 EGFR (0.55) EGFRERBB2MAPTBRAF
SCHEMBL8316972 0.84 EGFR (0.54) EGFRERBB2MAPTBRAF

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-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 claimed
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 claimed
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 claimed
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