SCHEMBL8316491

SCHEMBL8316491

CN(C)C(=O)N1CCC(Nc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)C1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.71
ERBB2 P04626 6/20 0.71
HPGD P15428 1/20 0.71
HTT P42858 1/20 0.71
MAPT P10636 1/20 0.52
CSNK2A1 P68400 2/20 0.51
BRAF P15056 2/20 0.47
ERBB4 Q15303 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
BCL6 P41182 1/20 0.43

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
SCHEMBL6994160 0.95 EGFR (0.76) EGFRERBB2HPGDHTTMAPT
SCHEMBL8317727 0.91 EGFR (0.74) EGFRERBB2HPGDHTTMAPT
SCHEMBL8317606 0.90 EGFR (0.72) EGFRERBB2HPGDHTTMAPT
SCHEMBL8317593 0.87 EGFR (0.70) EGFRERBB2HPGDHTTMAPT
SCHEMBL6991387 0.86 EGFR (0.77) EGFRERBB2HPGDHTTMAPT
SCHEMBL7000242 0.86 EGFR (0.67) EGFRERBB2HPGDHTTMAPT
SCHEMBL8314697 0.85 EGFR (0.68) EGFRERBB2HPGDHTTMAPT
SCHEMBL8315459 0.85 EGFR (0.90) EGFRERBB2HPGDHTTMAPT
SCHEMBL8488100 0.85 EGFR (0.74) EGFRERBB2HPGDHTTMAPT
SCHEMBL8483596 0.84 EGFR (0.68) 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 3 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 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