SCHEMBL8315543

SCHEMBL8315543

CC(=O)NC1CCN(c2ncc3ncnc(Nc4cccc(C)c4)c3n2)CC1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRAF P15056 13/20 0.55
EGFR P00533 7/20 0.53
ERBB2 P04626 2/20 0.52
MAPT P10636 1/20 0.47

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
SCHEMBL8314521 0.91 BRAF (0.53) BRAFEGFRERBB2MAPT
SCHEMBL8316972 0.91 EGFR (0.54) BRAFEGFRERBB2MAPT
SCHEMBL8315976 0.87 EGFR (0.55) BRAFEGFRERBB2MAPT
SCHEMBL8316302 0.87 EGFR (0.59) BRAFEGFRERBB2MAPT
SCHEMBL8317540 0.86 EGFR (0.57) BRAFEGFRERBB2MAPT
SCHEMBL8316706 0.86 EGFR (0.54) BRAFEGFRERBB2MAPT
SCHEMBL8318605 0.86 EGFR (0.55) BRAFEGFRERBB2MAPT
SCHEMBL8317867 0.86 EGFR (0.53) BRAFEGFRERBB2MAPT
SCHEMBL8319198 0.86 EGFR (0.56) BRAFEGFRERBB2MAPT
SCHEMBL8318441 0.85 EGFR (0.58) BRAFEGFR

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