SCHEMBL8317835

SCHEMBL8317835

CC(=O)N(C)c1ccc(Nc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.56
ERBB2 P04626 9/20 0.56
HPGD P15428 1/20 0.56
HTT P42858 1/20 0.56
MAPT P10636 1/20 0.48
ERBB4 Q15303 4/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
GRM1 Q13255 1/20 0.46
BRAF P15056 1/20 0.46
CSNK2A1 P68400 2/20 0.45
SYK P43405 1/20 0.45
DYRK1A Q13627 1/20 0.44
KDR P35968 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
SCHEMBL6990337 0.86 EGFR (0.56) EGFRERBB2HPGDHTTMAPT
SCHEMBL6990967 0.86 EGFR (0.56) EGFRERBB2HPGDHTTMAPT
SCHEMBL6992426 0.84 EGFR (0.53) EGFRERBB2HPGDHTTMAPT
SCHEMBL8484377 0.84 EGFR (0.64) EGFRERBB2HPGDHTTMAPT
SCHEMBL8318976 0.83 EGFR (0.54) EGFRERBB2HPGDHTTMAPT
SCHEMBL8317116 0.81 EGFR (0.53) EGFRERBB2HPGDHTTMAPT
SCHEMBL6992430 0.81 EGFR (0.62) EGFRERBB2HPGDHTTMAPT
SCHEMBL6993963 0.80 EGFR (0.56) EGFRERBB2HPGDHTTMAPT
SCHEMBL6992496 0.79 EGFR (0.69) EGFRERBB2HPGDHTTMAPT
SCHEMBL6998518 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