SCHEMBL6989676

SCHEMBL6989676

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

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.76
ERBB2 P04626 2/20 0.76
HPGD P15428 1/20 0.76
HTT P42858 1/20 0.76
MAPT P10636 1/20 0.54
CSNK2A1 P68400 1/20 0.53
IRAK4 Q9NWZ3 12/20 0.50
BRAF P15056 1/20 0.47
BCL6 P41182 2/20 0.47
GRM1 Q13255 1/20 0.46

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
SCHEMBL3473824 1.00 EGFR (0.76) EGFRERBB2HPGDHTTMAPT
SCHEMBL8314263 0.92 EGFR (0.84) EGFRERBB2HPGDHTTMAPT
SCHEMBL8314462 0.92 EGFR (0.63) EGFRERBB2HPGDHTTIRAK4
SCHEMBL8314464 0.92 EGFR (0.63) EGFRERBB2HPGDHTTIRAK4
SCHEMBL6995027 0.90 EGFR (0.70) EGFRERBB2HPGDHTTMAPT
SCHEMBL6992496 0.90 EGFR (0.69) EGFRERBB2HPGDHTTMAPT
SCHEMBL6995190 0.90 EGFR (0.80) EGFRERBB2HPGDHTTMAPT
SCHEMBL8486251 0.90 EGFR (0.69) EGFRERBB2HPGDHTTMAPT
SCHEMBL8483596 0.89 EGFR (0.68) EGFRERBB2HPGDHTTMAPT
SCHEMBL6997923 0.89 EGFR (0.72) 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-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-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-0819135-B1 SUGAR-MODIFIED CYTOSTATICS BAYER AG (DE) 1999-11-17 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