SCHEMBL6991323

SCHEMBL6991323

CC(=O)N1CCN(CCNc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.61
ERBB2 P04626 7/20 0.61
HPGD P15428 1/20 0.61
HTT P42858 1/20 0.61
ERBB4 Q15303 3/20 0.50
BRAF P15056 4/20 0.49
MAPT P10636 1/20 0.49
JAK3 P52333 1/20 0.49

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
SCHEMBL8315593 0.92 EGFR (0.59) EGFRERBB2HPGDHTTERBB4
SCHEMBL8319020 0.91 EGFR (0.59) EGFRERBB2HPGDHTTERBB4
SCHEMBL8522097 0.90 EGFR (0.59) EGFRERBB2HPGDHTTERBB4
SCHEMBL8317451 0.90 EGFR (0.69) EGFRERBB2HPGDHTTERBB4
SCHEMBL7587577 0.89 EGFR (0.57) EGFRERBB2HPGDHTTERBB4
SCHEMBL6998951 0.89 EGFR (0.56) EGFRERBB2HPGDHTTERBB4
SCHEMBL6990172 0.89 EGFR (0.59) EGFRERBB2HPGDHTTERBB4
SCHEMBL8312893 0.88 EGFR (0.64) EGFRERBB2HPGDHTTERBB4
SCHEMBL8315059 0.88 EGFR (0.60) EGFRERBB2HPGDHTTERBB4
SCHEMBL6994346 0.87 EGFR (0.59) EGFRERBB2HPGDHTTERBB4

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 6 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