SCHEMBL6995023

SCHEMBL6995023

CN1CCN(CCNc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)C1=O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.61
ERBB2 P04626 9/20 0.61
HPGD P15428 1/20 0.61
HTT P42858 1/20 0.61
MAPT P10636 1/20 0.51
ERBB4 Q15303 5/20 0.44
CSNK2A1 P68400 3/20 0.44
JAK3 P52333 1/20 0.43
GRM1 Q13255 1/20 0.43
BRAF P15056 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
SCHEMBL6994909 0.87 EGFR (0.59) EGFRERBB2HPGDHTTMAPT
SCHEMBL6994922 0.87 EGFR (0.58) EGFRERBB2HPGDHTTMAPT
SCHEMBL8317451 0.84 EGFR (0.69) EGFRERBB2HPGDHTTMAPT
SCHEMBL8312893 0.84 EGFR (0.64) EGFRERBB2HPGDHTTMAPT
SCHEMBL8315059 0.83 EGFR (0.60) EGFRERBB2HPGDHTTMAPT
SCHEMBL8319353 0.82 EGFR (0.61) EGFRERBB2HPGDHTTMAPT
SCHEMBL8317682 0.82 EGFR (0.70) EGFRERBB2HPGDHTTMAPT
SCHEMBL6997407 0.82 EGFR (0.61) EGFRERBB2HPGDHTTMAPT
SCHEMBL6991323 0.82 EGFR (0.61) EGFRERBB2HPGDHTTMAPT
SCHEMBL6990909 0.81 EGFR (0.56) 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-0888351-B1 PYRIMIDO 5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION THOMAE GMBH DR K (DE) 2003-10-15 EP disclosed
EP-0888351-A1 PYRIMIDO 5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION Dr. Karl Thomae GmbH (DE) 1999-01-07 EP disclosed
WO-1997032880-A1 PYRIMIDO[5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION DR. KARL THOMAE GMBH (DE) 1997-09-12 WO disclosed