SCHEMBL8317785

SCHEMBL8317785

O=CNCCCNc1ncc2ncnc(Nc3ccc(F)c(Cl)c3)c2n1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.54
ERBB2 P04626 6/20 0.54
HPGD P15428 1/20 0.54
HTT P42858 1/20 0.54
CSNK2A1 P68400 5/20 0.49
STK17A Q9UEE5 2/20 0.48
STK17B O94768 1/20 0.48
GRM1 Q13255 1/20 0.47
MAPT P10636 1/20 0.47
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
SCHEMBL6990324 0.89 STK17A (0.59) EGFRERBB2HPGDHTTSTK17A
SCHEMBL6992551 0.88 EGFR (0.59) EGFRERBB2HPGDHTTSTK17A
SCHEMBL6989432 0.88 STK17A (0.62) EGFRERBB2HPGDHTTSTK17A
SCHEMBL6999279 0.86 EGFR (0.56) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL6995363 0.85 EGFR (0.55) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL6993122 0.85 EGFR (0.60) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8317514 0.85 EGFR (0.54) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8319127 0.85 EGFR (0.54) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL6994345 0.84 EGFR (0.53) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8319040 0.83 EGFR (0.54) 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 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