SCHEMBL8315330

SCHEMBL8315330

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.57
FADS1 O60427 2/20 0.51
LCK P06239 1/20 0.50
ERBB2 P04626 2/20 0.49
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
GMNN O75496 1/20 0.48
ALDH1A1 P00352 1/20 0.48
ABL1 P00519 1/20 0.48
LMNA P02545 1/20 0.48
RAF1 P04049 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
GLA P06280 1/20 0.48
CYP3A4 P08684 1/20 0.48
FBP1 P09467 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
SRC P12931 1/20 0.48
HPGD P15428 1/20 0.48

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) EGFRMAPK1HIF1A
SCHEMBL8320084 0.86 EGFR (0.70) EGFRERBB2MEN1KMT2AMKNK1
SCHEMBL8314880 0.86 EGFR (0.53) EGFRLCKABL1FBP1ABL2
SCHEMBL6417047 0.86 EGFR (0.66) EGFRERBB2KDM4EMEN1ABL1
SCHEMBL8317145 0.85 EGFR (0.49) EGFRERBB2MAPTHPGD
SCHEMBL8315829 0.84 EGFR (0.51) EGFR
SCHEMBL8320237 0.84 EGFR (0.55) EGFRMEN1LMNASRCKMT2A
SCHEMBL6990190 0.84 EGFR (0.59) EGFRERBB2MEN1FBP1MAPT
SCHEMBL8318188 0.84 EGFR (0.55) EGFR
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