SCHEMBL8316205

SCHEMBL8316205

CN(c1ncc2ncnc(Nc3cccc([N+](=O)[O-])c3)c2n1)[C@H]1CC[C@H](O)CC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.50
ABCG2 Q9UNQ0 2/20 0.48
FLT3 P36888 1/20 0.46
TYRO3 Q06418 1/20 0.46
MERTK Q12866 1/20 0.46
GAS6 Q14393 1/20 0.46
BRAF P15056 4/20 0.42
RAF1 P04049 1/20 0.42

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
SCHEMBL8316210 1.00 EGFR (0.50) EGFRABCG2FLT3TYRO3MERTK
SCHEMBL6996263 0.89 BRAF (0.51) EGFRABCG2BRAF
SCHEMBL8316432 0.86 EGFR (0.69) EGFRBRAF
SCHEMBL8316426 0.86 EGFR (0.69) EGFRBRAF
SCHEMBL8319409 0.85 EGFR (0.54) EGFRBRAF
SCHEMBL8319415 0.85 EGFR (0.54) EGFRBRAF
SCHEMBL8316033 0.85 EGFR (0.70) EGFR
SCHEMBL8316029 0.85 EGFR (0.70) EGFR
SCHEMBL8313945 0.83 GSK3A (0.56) EGFRABCG2FLT3TYRO3MERTK
SCHEMBL8313619 0.83 GSK3A (0.56) EGFRABCG2FLT3TYRO3MERTK

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