SCHEMBL8367388

SCHEMBL8367388

O=S(=O)(c1ccccc1)c1ccc(Nc2ncnc3cnc(NCCN4CC[S+]([O-])CC4)cc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.53
ERBB2 P04626 4/20 0.46
ERBB4 Q15303 2/20 0.46
JAK3 P52333 1/20 0.46
MAP3K8 P41279 3/20 0.42
MAPK13 O15264 2/20 0.42
SRC P12931 2/20 0.42
MAPK12 P53778 2/20 0.42
MAP2K1 Q02750 2/20 0.42
MAPK11 Q15759 2/20 0.42
MAPK14 Q16539 2/20 0.42

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
SCHEMBL8367919 0.95 EGFR (0.54) EGFRERBB2ERBB4JAK3
SCHEMBL8367387 0.89 EGFR (0.50) EGFRERBB2SRC
SCHEMBL8368308 0.87 EGFR (0.49) EGFRERBB2ERBB4JAK3
SCHEMBL8365522 0.85 EGFR (0.47) EGFRERBB2ERBB4JAK3SRC
SCHEMBL8515724 0.85 EGFR (0.52) EGFRERBB2ERBB4JAK3MAP3K8
SCHEMBL8545642 0.85 EGFR (0.47) EGFRERBB2ERBB4JAK3SRC
SCHEMBL8363483 0.85 EGFR (0.49) EGFRERBB2ERBB4JAK3
SCHEMBL8367792 0.84 EGFR (0.57) EGFRERBB2
SCHEMBL8367320 0.83 EGFR (0.54) EGFRERBB2
SCHEMBL8516124 0.82 EGFR (0.49) EGFRERBB2

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