SCHEMBL8317671

SCHEMBL8317671

CC(=O)NC1CCN(c2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)C1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.64
ERBB2 P04626 6/20 0.64
MAPT P10636 1/20 0.64
HPGD P15428 1/20 0.60
HTT P42858 1/20 0.60
BRAF P15056 9/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ERBB4 Q15303 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
SCHEMBL8315138 0.95 EGFR (0.60) EGFRERBB2MAPTHPGDHTT
SCHEMBL6999402 0.95 EGFR (0.69) EGFRERBB2MAPTHPGDHTT
SCHEMBL8313724 0.92 EGFR (0.63) EGFRERBB2MAPTHPGDHTT
SCHEMBL8319143 0.91 EGFR (0.64) EGFRERBB2MAPTHPGDHTT
SCHEMBL6998075 0.89 EGFR (0.69) EGFRERBB2MAPTHPGDHTT
SCHEMBL8487864 0.88 EGFR (0.57) EGFRERBB2MAPTHPGDHTT
SCHEMBL8319783 0.87 EGFR (0.59) EGFRERBB2MAPTHPGDHTT
SCHEMBL6992654 0.87 EGFR (0.67) EGFRERBB2MAPTHPGDHTT
SCHEMBL8315679 0.87 EGFR (0.64) EGFRERBB2MAPTHPGDHTT
SCHEMBL8316771 0.87 EGFR (0.64) EGFRERBB2MAPTHPGDHTT

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