SCHEMBL6993876

SCHEMBL6993876

O=C(O)C1CCC(Nc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.72
ERBB2 P04626 6/20 0.72
HPGD P15428 1/20 0.72
HTT P42858 1/20 0.72
CSNK2A1 P68400 4/20 0.61
MAPT P10636 1/20 0.49
BRAF P15056 2/20 0.49
CSNK2A2 P19784 2/20 0.46
CSNK2B P67870 2/20 0.46
GRM1 Q13255 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ERBB4 Q15303 1/20 0.45
BCL6 P41182 1/20 0.44

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
SCHEMBL6993885 1.00 EGFR (0.72) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL6999421 0.96 EGFR (0.68) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8317027 0.92 EGFR (0.60) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8317032 0.92 EGFR (0.60) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8314263 0.92 EGFR (0.84) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL6999338 0.91 EGFR (0.71) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL6999332 0.91 EGFR (0.71) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8319506 0.90 EGFR (0.70) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8319512 0.90 EGFR (0.70) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL7001920 0.89 EGFR (0.72) EGFRERBB2HPGDHTTCSNK2A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888351-B1 PYRIMIDO 5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION THOMAE GMBH DR K (DE) 2003-10-15 EP disclosed
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-0888351-A1 PYRIMIDO 5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION Dr. Karl Thomae GmbH (DE) 1999-01-07 EP disclosed
WO-1997032880-A1 PYRIMIDO[5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION DR. KARL THOMAE GMBH (DE) 1997-09-12 WO 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