SCHEMBL7001817

SCHEMBL7001817

Nc1c(Br)cc(Nc2ncnc3cnc(NC4CCC(O)CC4)nc23)cc1Br

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.53
EGFR P00533 7/20 0.47
ERBB2 P04626 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
MAPK8 P45983 4/20 0.43
MAPK9 P45984 3/20 0.43
GSK3A P49840 2/20 0.40
GSK3B P49841 2/20 0.40
FLT3 P36888 1/20 0.38
TYRO3 Q06418 1/20 0.38
MERTK Q12866 1/20 0.38
GAS6 Q14393 1/20 0.38
CD38 P28907 1/20 0.38

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
SCHEMBL6988137 1.00 BRAF (0.53) BRAFEGFRERBB2HPGDHTT
SCHEMBL6999541 0.93 EGFR (0.52) BRAFEGFRERBB2HPGDHTT
SCHEMBL6999546 0.93 EGFR (0.52) BRAFEGFRERBB2HPGDHTT
SCHEMBL8314236 0.92 BRAF (0.54) BRAFEGFRERBB2HPGDHTT
SCHEMBL8314239 0.92 BRAF (0.54) BRAFEGFRERBB2HPGDHTT
SCHEMBL6993890 0.88 EGFR (0.56) BRAFEGFRERBB2HPGDHTT
SCHEMBL6993881 0.88 EGFR (0.56) BRAFEGFRERBB2HPGDHTT
SCHEMBL8317438 0.83 EGFR (0.66) BRAFEGFRERBB2HPGDHTT
SCHEMBL8315961 0.83 EGFR (0.66) BRAFEGFRERBB2HPGDHTT
SCHEMBL8315969 0.83 EGFR (0.66) BRAFEGFRERBB2HPGDHTT

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 8 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 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 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-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-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