SCHEMBL8314723

SCHEMBL8314723

c1cc(Nc2ncnc3cnc(N4CCOCC4)nc23)cc(C2CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRAF P15056 16/20 0.53
EGFR P00533 4/20 0.49
ERBB2 P04626 1/20 0.47
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
SCHEMBL8317331 0.85 BRAF (0.56) BRAFEGFRERBB2MAPT
SCHEMBL8315227 0.85 EGFR (0.66) BRAFEGFR
SCHEMBL8319713 0.85 EGFR (0.66) BRAFEGFRMAPT
SCHEMBL8320360 0.85 BRAF (0.56) BRAFEGFRERBB2MAPT
SCHEMBL8316477 0.84 BRAF (0.64) BRAFEGFR
SCHEMBL8318130 0.82 EGFR (0.54) BRAFEGFRERBB2
SCHEMBL8319158 0.81 EGFR (0.56) BRAFEGFRERBB2MAPT
SCHEMBL8320147 0.81 SRC (0.58) BRAFEGFR
SCHEMBL8487628 0.81 BRAF (0.55) BRAFEGFR
SCHEMBL8314586 0.80 BRAF (0.55) 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