SCHEMBL8316770

SCHEMBL8316770

O[C@H]1CC[C@H](Nc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.77
ERBB2 P04626 6/20 0.77
HPGD P15428 1/20 0.77
HTT P42858 1/20 0.77
CSNK2A1 P68400 1/20 0.57
BRAF P15056 2/20 0.53
MAPT P10636 1/20 0.52
GRM1 Q13255 1/20 0.48
BCL6 P41182 2/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ERBB4 Q15303 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
SCHEMBL6997215 1.00 EGFR (0.77) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL6997208 1.00 EGFR (0.77) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8485773 0.97 EGFR (0.73) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8485770 0.97 EGFR (0.73) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8314263 0.95 EGFR (0.84) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8318996 0.94 EGFR (0.71) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8483478 0.92 EGFR (0.67) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8488285 0.92 EGFR (0.66) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8488288 0.92 EGFR (0.66) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8315344 0.91 EGFR (0.64) 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 7 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 claimed
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 claimed
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 claimed
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
US-5707989-A ANTITUMOR AGENTS, INHIBITING SIGNAL TRANSDUCTION MEDIATED BY TYROSINE KINASES DR. KARL THOMAE GMBH (DE) 1998-01-13 US 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