SCHEMBL8317587

SCHEMBL8317587

CC(C)(C)OC(=O)N1CCC(Oc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.53
ERBB2 P04626 5/20 0.53
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
MAPT P10636 1/20 0.49
GPR119 Q8TDV5 2/20 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
SCHEMBL8319916 0.92 EGFR (0.58) EGFRERBB2HPGDHTTMAPT
SCHEMBL8318420 0.90 EGFR (0.65) EGFRERBB2HPGDHTTMAPT
SCHEMBL6993850 0.86 EGFR (0.72) EGFRERBB2HPGDHTTMAPT
SCHEMBL8313801 0.85 EGFR (0.70) EGFRERBB2HPGDHTTMAPT
SCHEMBL7144902 0.85 EGFR (0.53) EGFRERBB2HPGDHTTMAPT
SCHEMBL8315095 0.83 EGFR (0.52) EGFRERBB2HPGDHTTMAPT
SCHEMBL8315770 0.83 EGFR (0.65) EGFRERBB2HPGDHTTMAPT
SCHEMBL8315100 0.83 EGFR (0.52) EGFRERBB2HPGDHTTMAPT
SCHEMBL8318815 0.83 EGFR (0.67) EGFRERBB2HPGDHTTMAPT
SCHEMBL8801228 0.82 EGFR (0.58) 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