SCHEMBL8316641

SCHEMBL8316641

CC(C)(CCO)Nc1ncc2ncnc(Nc3ccc(F)c(Cl)c3)c2n1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.57
ERBB2 P04626 7/20 0.57
HPGD P15428 1/20 0.57
HTT P42858 1/20 0.57
MAPT P10636 1/20 0.49
GRM1 Q13255 1/20 0.48
FBP1 P09467 2/20 0.46
ERBB4 Q15303 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
AURKA O14965 1/20 0.45
INSR P06213 1/20 0.45
PDGFRB P09619 1/20 0.45
FLT4 P35916 1/20 0.45
KDR P35968 1/20 0.45
CLK1 P49759 1/20 0.45
EPHB4 P54760 1/20 0.45
TEK Q02763 1/20 0.45
AURKB Q96GD4 1/20 0.45

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
SCHEMBL8317490 0.94 EGFR (0.56) EGFRERBB2HPGDHTTMAPT
SCHEMBL8318372 0.92 EGFR (0.59) EGFRERBB2HPGDHTTMAPT
SCHEMBL6991267 0.89 EGFR (0.59) EGFRERBB2HPGDHTTMAPT
SCHEMBL7000275 0.87 EGFR (0.64) EGFRERBB2HPGDHTTMAPT
SCHEMBL8318102 0.87 EGFR (0.57) EGFRERBB2HPGDHTTMAPT
SCHEMBL8798473 0.86 EGFR (0.56) EGFRERBB2HPGDHTTMAPT
SCHEMBL8318470 0.83 EGFR (0.48) EGFRERBB2HPGDHTTMAPT
SCHEMBL8314431 0.83 EGFR (0.59) EGFRERBB2HPGDHTTMAPT
SCHEMBL6993332 0.81 EGFR (0.59) EGFRERBB2HPGDHTTMAPT
SCHEMBL8315654 0.81 EGFR (0.50) 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