SCHEMBL7001287

SCHEMBL7001287

Fc1ccc(Nc2ncnc3cnc(NC4CCC(N5CCCC5)CC4)nc23)cc1Cl

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.76
ERBB2 P04626 4/20 0.76
HPGD P15428 1/20 0.76
HTT P42858 1/20 0.76
MAPT P10636 1/20 0.53
CSNK2A1 P68400 1/20 0.51
BCL6 P41182 2/20 0.45
GRM1 Q13255 1/20 0.45
IRAK4 Q9NWZ3 3/20 0.44
BRAF P15056 1/20 0.43
JAK3 P52333 1/20 0.42
ERBB4 Q15303 1/20 0.42

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
SCHEMBL6993747 0.99 EGFR (0.75) EGFRERBB2HPGDHTTMAPT
SCHEMBL6992091 0.92 EGFR (0.73) EGFRERBB2HPGDHTTMAPT
SCHEMBL6990223 0.92 EGFR (0.73) EGFRERBB2HPGDHTTMAPT
SCHEMBL6994986 0.92 EGFR (0.73) EGFRERBB2HPGDHTTMAPT
SCHEMBL6989864 0.92 EGFR (0.84) EGFRERBB2HPGDHTTMAPT
SCHEMBL8314263 0.91 EGFR (0.84) EGFRERBB2HPGDHTTMAPT
SCHEMBL8483568 0.91 EGFR (0.75) EGFRERBB2HPGDHTTMAPT
SCHEMBL6990100 0.89 EGFR (0.71) EGFRERBB2HPGDHTTMAPT
SCHEMBL8487409 0.89 EGFR (0.90) EGFRERBB2HPGDHTTMAPT
SCHEMBL6995583 0.87 EGFR (0.73) EGFRERBB2HPGDHTTMAPT

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-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 claimed
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 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-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