SCHEMBL8317568

SCHEMBL8317568

CN(C)C(=O)C1CCC(Nc2ncc3ncnc(Nc4cccc(Cl)c4)c3n2)CC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 5/20 0.54
CSNK2A2 P19784 4/20 0.54
CSNK2B P67870 4/20 0.54
EGFR P00533 11/20 0.53
ERBB2 P04626 1/20 0.53
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
BRAF P15056 2/20 0.53
BTK Q06187 1/20 0.45
CDK1 P06493 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
SCHEMBL8317572 1.00 CSNK2A1 (0.54) CSNK2A1CSNK2A2CSNK2BEGFRERBB2
SCHEMBL8317113 0.90 EGFR (0.59) EGFRERBB2HPGDHTTBRAF
SCHEMBL8317108 0.90 EGFR (0.59) EGFRERBB2HPGDHTTBRAF
SCHEMBL8316791 0.90 EGFR (0.60) EGFRERBB2HPGDHTTBRAF
SCHEMBL8316794 0.90 EGFR (0.60) EGFRERBB2HPGDHTTBRAF
SCHEMBL8313505 0.89 CSNK2A1 (0.59) CSNK2A1CSNK2A2CSNK2BEGFRERBB2
SCHEMBL8313509 0.89 CSNK2A1 (0.59) CSNK2A1CSNK2A2CSNK2BEGFRERBB2
SCHEMBL8316797 0.89 EGFR (0.59) CSNK2A1CSNK2A2CSNK2BEGFRERBB2
SCHEMBL8316801 0.89 EGFR (0.59) CSNK2A1CSNK2A2CSNK2BEGFRERBB2
SCHEMBL8312903 0.88 CSNK2A1 (0.57) CSNK2A1CSNK2A2CSNK2BEGFRERBB2

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