SCHEMBL8317116

SCHEMBL8317116

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

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.53
ERBB2 P04626 8/20 0.53
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
MAPT P10636 1/20 0.52
ERBB4 Q15303 4/20 0.44
FBP1 P09467 1/20 0.44
GRM1 Q13255 1/20 0.44
KDR P35968 2/20 0.44
BRAF P15056 1/20 0.44

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
SCHEMBL8318976 0.95 EGFR (0.54) EGFRERBB2HPGDHTTMAPT
SCHEMBL6989564 0.87 EGFR (0.56) EGFRERBB2HPGDHTTMAPT
SCHEMBL6992426 0.84 EGFR (0.53) EGFRERBB2HPGDHTTMAPT
SCHEMBL8317835 0.81 EGFR (0.56) EGFRERBB2HPGDHTTMAPT
SCHEMBL6992430 0.81 EGFR (0.62) EGFRERBB2HPGDHTTMAPT
SCHEMBL6990337 0.80 EGFR (0.56) EGFRERBB2HPGDHTTMAPT
SCHEMBL8315268 0.79 EGFR (0.54) EGFRERBB2HPGDHTTMAPT
SCHEMBL8318913 0.79 EGFR (0.66) EGFRERBB2HPGDHTTMAPT
SCHEMBL6990967 0.79 EGFR (0.56) EGFRERBB2HPGDHTTMAPT
SCHEMBL8316641 0.78 EGFR (0.57) 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