SCHEMBL8314697

SCHEMBL8314697

COC(=O)N1CCCC(Nc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)C1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.68
ERBB2 P04626 3/20 0.68
HPGD P15428 1/20 0.68
HTT P42858 1/20 0.68
MAPT P10636 1/20 0.49
CSNK2A1 P68400 1/20 0.48
BTK Q06187 3/20 0.47
ITK Q08881 2/20 0.47
JAK3 P52333 1/20 0.47
BCL6 P41182 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
SCHEMBL8317606 0.95 EGFR (0.72) EGFRERBB2HPGDHTTMAPT
SCHEMBL8317593 0.92 EGFR (0.70) EGFRERBB2HPGDHTTMAPT
SCHEMBL6991387 0.91 EGFR (0.77) EGFRERBB2HPGDHTTMAPT
SCHEMBL8317727 0.87 EGFR (0.74) EGFRERBB2HPGDHTTMAPT
SCHEMBL6992445 0.86 EGFR (0.81) EGFRERBB2HPGDHTTMAPT
SCHEMBL8316491 0.85 EGFR (0.71) EGFRERBB2HPGDHTTMAPT
SCHEMBL8318350 0.85 EGFR (0.71) EGFRERBB2HPGDHTTMAPT
SCHEMBL7001920 0.84 EGFR (0.72) EGFRERBB2HPGDHTTMAPT
SCHEMBL7001919 0.84 EGFR (0.72) EGFRERBB2HPGDHTTMAPT
SCHEMBL6989080 0.84 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 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