SCHEMBL8317099

SCHEMBL8317099

CC(C)Nc1ncc2ncnc(Nc3cccc(Br)c3)c2n1

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.77

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
SCHEMBL8317586 0.88 EGFR (0.70) EGFR
SCHEMBL8318451 0.87 EGFR (0.77) EGFR
SCHEMBL8315864 0.86 EGFR (0.58) EGFR
SCHEMBL8315646 0.86 EGFR (0.58) EGFR
SCHEMBL8320046 0.86 EGFR (0.69) EGFR
SCHEMBL8319223 0.84 EGFR (0.77) EGFR
SCHEMBL8318849 0.84 EGFR (0.55) EGFR
SCHEMBL8314074 0.82 ABCG2 (0.55) EGFR
SCHEMBL8315545 0.81 EGFR (0.72) EGFR
SCHEMBL8316032 0.81 EGFR (0.72) 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