SCHEMBL8316115

SCHEMBL8316115

CC(CN(C)C)Oc1ncc2ncnc(Nc3ccc(F)c(Cl)c3)c2n1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.51
ERBB2 P04626 6/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
FBP1 P09467 2/20 0.47
GRM1 Q13255 1/20 0.47
AURKA O14965 1/20 0.46
INSR P06213 1/20 0.46
PDGFRB P09619 1/20 0.46
FLT4 P35916 1/20 0.46
KDR P35968 1/20 0.46
CLK1 P49759 1/20 0.46
EPHB4 P54760 1/20 0.46
TEK Q02763 1/20 0.46
AURKB Q96GD4 1/20 0.46
ERBB4 Q15303 1/20 0.46

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
SCHEMBL8317584 0.90 EGFR (0.53) EGFRERBB2MAPTHPGDHTT
SCHEMBL8315853 0.88 EGFR (0.59) EGFRERBB2MAPTHPGDHTT
SCHEMBL8312566 0.87 EGFR (0.57) EGFRERBB2MAPTHPGDHTT
SCHEMBL8318747 0.84 EGFR (0.64) EGFRERBB2MAPTHPGDHTT
SCHEMBL8314923 0.80 EGFR (0.63) EGFRERBB2MAPTHPGDHTT
SCHEMBL8314618 0.79 EGFR (0.61) EGFRERBB2MAPTHPGDHTT
SCHEMBL8319823 0.78 EGFR (0.64) EGFRERBB2MAPTHPGDHTT
SCHEMBL8317090 0.78 EGFR (0.55) EGFRERBB2MAPTHPGDHTT
SCHEMBL8319146 0.77 EGFR (0.61) EGFRERBB2MAPTHPGDHTT
SCHEMBL8316085 0.76 EGFR (0.55) EGFRERBB2MAPTHPGDHTT

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