SCHEMBL8317992

SCHEMBL8317992

Fc1ccc(Nc2ncnc3cnc(N4CCOCC4)nc23)cc1Cl

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.68
ERBB2 P04626 5/20 0.68
MAPT P10636 1/20 0.68
HPGD P15428 1/20 0.58
HTT P42858 1/20 0.58
BCL6 P41182 1/20 0.57
BRAF P15056 9/20 0.54
ERBB4 Q15303 2/20 0.51
JAK3 P52333 1/20 0.51
GRM1 Q13255 1/20 0.50

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
SCHEMBL8317856 0.92 EGFR (0.63) EGFRERBB2MAPTHPGDHTT
SCHEMBL6998708 0.91 EGFR (0.67) EGFRERBB2MAPTHPGDHTT
SCHEMBL8316917 0.91 EGFR (0.71) EGFRERBB2MAPTHPGDHTT
SCHEMBL8316098 0.91 ERBB2 (0.56) EGFRERBB2MAPTBCL6BRAF
SCHEMBL6997067 0.90 EGFR (0.59) EGFRERBB2MAPTHPGDHTT
SCHEMBL6990982 0.90 EGFR (0.70) EGFRERBB2MAPTHPGDHTT
SCHEMBL6998251 0.90 EGFR (0.70) EGFRERBB2MAPTHPGDHTT
SCHEMBL6999303 0.89 EGFR (0.71) EGFRERBB2MAPTHPGDHTT
SCHEMBL8486032 0.87 EGFR (0.65) EGFRERBB2MAPTHPGDHTT
SCHEMBL8488242 0.87 EGFR (0.63) EGFRERBB2MAPTHPGDHTT

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