SCHEMBL8318976

SCHEMBL8318976

OCCN(CCO)c1ccc(Nc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.54
ERBB2 P04626 5/20 0.54
HPGD P15428 1/20 0.54
HTT P42858 1/20 0.54
MAPT P10636 1/20 0.49
GRM1 Q13255 1/20 0.47
MAPK1 P28482 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
STK17B O94768 1/20 0.43
STK17A Q9UEE5 1/20 0.43
FBP1 P09467 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
SCHEMBL8317116 0.95 EGFR (0.53) EGFRERBB2HPGDHTTMAPT
SCHEMBL8317835 0.83 EGFR (0.56) EGFRERBB2HPGDHTTMAPT
SCHEMBL6989564 0.82 EGFR (0.56) EGFRERBB2HPGDHTTMAPT
SCHEMBL6992426 0.81 EGFR (0.53) EGFRERBB2HPGDHTTMAPT
SCHEMBL6990337 0.81 EGFR (0.56) EGFRERBB2HPGDHTTMAPT
SCHEMBL8315268 0.80 EGFR (0.54) EGFRERBB2HPGDHTTMAPT
SCHEMBL6992430 0.80 EGFR (0.62) EGFRERBB2HPGDHTTMAPT
SCHEMBL8313815 0.80 EGFR (0.58) EGFRERBB2HPGDHTTMAPT
SCHEMBL6990967 0.80 EGFR (0.56) EGFRERBB2HPGDHTTMAPT
SCHEMBL8321247 0.79 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 1 patent. 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