SCHEMBL8315732

SCHEMBL8315732

O=C1CCN(c2ncc3ncnc(Nc4cccc(Br)c4)c3n2)CC1

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.60

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
SCHEMBL8318487 0.89 EGFR (0.65) EGFR
SCHEMBL8314587 0.88 EGFR (0.60) EGFR
SCHEMBL8319394 0.88 EGFR (0.50) EGFR
SCHEMBL8315227 0.87 EGFR (0.66) EGFR
SCHEMBL8312962 0.85 EGFR (0.48) EGFR
SCHEMBL8318621 0.84 ABCG2 (0.52) EGFR
SCHEMBL8318461 0.82 EGFR (0.55) EGFR
SCHEMBL8320166 0.80 EGFR (0.67) EGFR
SCHEMBL7578224 0.80 EGFR (0.55) EGFR
SCHEMBL8319851 0.78 EGFR (0.64) EGFR

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