SCHEMBL8367172

SCHEMBL8367172

CN(CCCCc1cc2c(Nc3ccc(S(=O)(=O)c4ccccc4)cc3)ncnc2cn1)CCS(C)(=O)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.56
ERBB2 P04626 8/20 0.56
BRAF P15056 1/20 0.40
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
KMT2A Q03164 2/20 0.38
HIF1A Q16665 2/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
ERBB4 Q15303 2/20 0.38
RGS12 O14924 1/20 0.38
GMNN O75496 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAF1 P04049 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL8365881 0.97 EGFR (0.57) EGFRERBB2BRAFMEN1LMNA
SCHEMBL8365615 0.94 EGFR (0.54) EGFRERBB2BRAFMEN1LMNA
SCHEMBL8363535 0.88 EGFR (0.59) EGFRERBB2BRAFMEN1LMNA
SCHEMBL8364550 0.87 EGFR (0.55) EGFRERBB2
SCHEMBL8367718 0.87 EGFR (0.62) EGFRERBB2BRAFMEN1LMNA
SCHEMBL8367021 0.86 EGFR (0.55) EGFRERBB2
SCHEMBL8367295 0.86 EGFR (0.71) EGFRERBB2BRAF
SCHEMBL8618856 0.85 EGFR (0.63) EGFRERBB2BRAFMEN1LMNA
SCHEMBL8367246 0.85 EGFR (0.70) EGFRERBB2BRAF
SCHEMBL8611220 0.84 EGFR (0.62) EGFRERBB2BRAFMEN1LMNA

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
WO-1999035132-A1 HETEROCYCLIC COMPOUNDS GLAXO GROUP LIMITED (GB) 1999-07-15 WO disclosed