SCHEMBL8314880

SCHEMBL8314880

CS(=O)(=O)c1ncc2ncnc(Nc3cccc(F)c3)c2n1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.53
ABCG2 Q9UNQ0 1/20 0.51
AURKB Q96GD4 1/20 0.48
LCK P06239 1/20 0.47
FBP1 P09467 1/20 0.47
ABL1 P00519 1/20 0.46
ABL2 P42684 1/20 0.46

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
SCHEMBL6993872 0.87 EGFR (0.69) EGFR
SCHEMBL8315330 0.86 EGFR (0.57) EGFRLCKFBP1ABL1ABL2
SCHEMBL8320084 0.86 EGFR (0.70) EGFR
SCHEMBL8318188 0.86 EGFR (0.55) EGFRABCG2
SCHEMBL6417047 0.86 EGFR (0.66) EGFRABCG2AURKBABL1
SCHEMBL6997375 0.85 EGFR (0.47) EGFR
SCHEMBL8315829 0.84 EGFR (0.51) EGFR
SCHEMBL8320237 0.84 EGFR (0.55) EGFRABCG2AURKB
SCHEMBL6994593 0.84 ABCG2 (0.54) EGFRABCG2
SCHEMBL6990835 0.84 EGFR (0.50) EGFR

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