SCHEMBL8316477

SCHEMBL8316477

c1ccc(Nc2ncnc3cnc(N4CCOCC4)nc23)cc1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRAF P15056 12/20 0.64
EGFR P00533 4/20 0.56
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
SRC P12931 1/20 0.50
HTR2A P28223 1/20 0.49

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
SCHEMBL6990834 0.90 BRAF (0.55) BRAFEGFRHTR2A
SCHEMBL8487253 0.89 BRAF (0.53) BRAF
SCHEMBL8314285 0.89 BRAF (0.62) BRAFEGFRLMNA
SCHEMBL8487628 0.89 BRAF (0.55) BRAFEGFR
SCHEMBL6993407 0.87 EGFR (0.53) BRAFEGFRHTR2A
SCHEMBL8317331 0.87 BRAF (0.56) BRAFEGFR
SCHEMBL8315227 0.87 EGFR (0.66) BRAFEGFR
SCHEMBL8319713 0.87 EGFR (0.66) BRAFEGFRSRC
SCHEMBL8320360 0.87 BRAF (0.56) BRAFEGFRLMNA
SCHEMBL8483815 0.85 BRAF (0.54) BRAF

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