SCHEMBL8319253

SCHEMBL8319253

O[C@H]1CC[C@H](Oc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.55
ERBB2 P04626 6/20 0.55
HPGD P15428 1/20 0.55
HTT P42858 1/20 0.55
MAPT P10636 1/20 0.51
GRM1 Q13255 1/20 0.50
FBP1 P09467 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ERBB4 Q15303 1/20 0.45

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
SCHEMBL8319249 1.00 EGFR (0.55) EGFRERBB2HPGDHTTMAPT
SCHEMBL8317623 0.95 EGFR (0.54) EGFRERBB2HPGDHTTMAPT
SCHEMBL8801228 0.91 EGFR (0.58) EGFRERBB2HPGDHTTMAPT
SCHEMBL8315681 0.91 EGFR (0.57) EGFRERBB2HPGDHTTMAPT
SCHEMBL8315690 0.91 EGFR (0.57) EGFRERBB2HPGDHTTMAPT
SCHEMBL8314604 0.90 EGFR (0.53) EGFRERBB2HPGDHTTMAPT
SCHEMBL8314168 0.89 EGFR (0.52) EGFRERBB2HPGDHTTMAPT
SCHEMBL8314173 0.89 EGFR (0.52) EGFRERBB2HPGDHTTMAPT
SCHEMBL6993795 0.89 EGFR (0.61) EGFRERBB2HPGDHTTMAPT
SCHEMBL8315340 0.88 EGFR (0.51) EGFRERBB2HPGDHTTMAPT

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