SCHEMBL8319353

SCHEMBL8319353

CN1CCN(c2ccc(Nc3ncc4ncnc(Nc5ccc(F)c(Cl)c5)c4n3)cc2)C1=O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.61
ERBB2 P04626 11/20 0.61
HPGD P15428 1/20 0.61
HTT P42858 1/20 0.61
MAPT P10636 1/20 0.49
AXL P30530 1/20 0.46
GRM1 Q13255 1/20 0.46
ERBB4 Q15303 5/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPK1 P28482 1/20 0.43
JAK3 P52333 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
SCHEMBL8488618 0.87 EGFR (0.60) EGFRERBB2HPGDHTTMAPT
SCHEMBL8314171 0.85 EGFR (0.58) EGFRERBB2HPGDHTTMAPT
SCHEMBL8798694 0.83 EGFR (0.63) EGFRERBB2HPGDHTTMAPT
SCHEMBL6995023 0.82 EGFR (0.61) EGFRERBB2HPGDHTTMAPT
SCHEMBL8314787 0.81 EGFR (0.61) EGFRERBB2HPGDHTTMAPT
SCHEMBL8315235 0.80 EGFR (0.75) EGFRERBB2HPGDHTTMAPT
SCHEMBL8483701 0.80 EGFR (0.55) EGFRERBB2HPGDHTTMAPT
SCHEMBL6994909 0.78 EGFR (0.59) EGFRERBB2HPGDHTTMAPT
SCHEMBL8487596 0.78 EGFR (0.59) EGFRERBB2HPGDHTTMAPT
SCHEMBL6992397 0.77 EGFR (0.67) 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