SCHEMBL8314941

SCHEMBL8314941

NCC(O)CNc1ncc2ncnc(Nc3ccc(F)c(Cl)c3)c2n1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.55
ERBB2 P04626 6/20 0.55
HPGD P15428 1/20 0.55
HTT P42858 1/20 0.55
GRM1 Q13255 1/20 0.50
MAPT P10636 1/20 0.47
CSNK2A1 P68400 1/20 0.47
STK17A Q9UEE5 2/20 0.46
STK17B O94768 1/20 0.46
FBP1 P09467 1/20 0.43
DYRK1A Q13627 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ERBB4 Q15303 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
SCHEMBL6993156 0.87 EGFR (0.59) EGFRERBB2HPGDHTTGRM1
SCHEMBL6993122 0.86 EGFR (0.60) EGFRERBB2HPGDHTTGRM1
SCHEMBL6989432 0.84 STK17A (0.62) EGFRERBB2HPGDHTTGRM1
SCHEMBL6996432 0.84 CSNK2A1 (0.62) EGFRERBB2HPGDHTTGRM1
SCHEMBL6990324 0.83 STK17A (0.59) EGFRERBB2HPGDHTTGRM1
SCHEMBL6992551 0.83 EGFR (0.59) EGFRERBB2HPGDHTTGRM1
SCHEMBL8490032 0.83 EGFR (0.57) EGFRERBB2HPGDHTTGRM1
SCHEMBL6990991 0.83 EGFR (0.59) EGFRERBB2HPGDHTTGRM1
SCHEMBL6994800 0.82 EGFR (0.60) EGFRERBB2HPGDHTTGRM1
SCHEMBL8315925 0.81 EGFR (0.55) EGFRERBB2HPGDHTTGRM1

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