SCHEMBL8314586

SCHEMBL8314586

c1ccc(C2CC2)c(Nc2ncnc3cnc(N4CCOCC4)nc23)c1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BRAF P15056 19/20 0.55
KHK P50053 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
SCHEMBL8316477 0.82 BRAF (0.64) BRAF
SCHEMBL8489738 0.80 BRAF (0.54) BRAF
SCHEMBL8314723 0.80 BRAF (0.53) BRAF
SCHEMBL8483815 0.79 BRAF (0.54) BRAF
SCHEMBL8486442 0.79 BRAF (0.52) BRAF
SCHEMBL8486738 0.79 BRAF (0.52) BRAF
SCHEMBL8484256 0.78 BRAF (0.51) BRAF
SCHEMBL8487253 0.76 BRAF (0.53) BRAF
SCHEMBL8487628 0.76 BRAF (0.55) BRAF
SCHEMBL8487731 0.76 BRAF (0.51) 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