SCHEMBL8368308

SCHEMBL8368308

O=S(=O)(c1ccccc1)c1ccc(Nc2ncnc3cnc(CCN4CC[S+]([O-])CC4)cc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.49
ERBB2 P04626 5/20 0.43
ERBB4 Q15303 5/20 0.41
JAK3 P52333 1/20 0.41
KDR P35968 3/20 0.39
HSD17B10 Q99714 1/20 0.39
BRAF P15056 1/20 0.39
AURKA O14965 1/20 0.38
AURKB Q96GD4 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
SCHEMBL8365522 0.95 EGFR (0.47) EGFRERBB2ERBB4JAK3KDR
SCHEMBL8545642 0.94 EGFR (0.47) EGFRERBB2ERBB4JAK3KDR
SCHEMBL8516124 0.88 EGFR (0.49) EGFRERBB2KDRHSD17B10BRAF
SCHEMBL8363483 0.87 EGFR (0.49) EGFRERBB2ERBB4JAK3KDR
SCHEMBL8367388 0.87 EGFR (0.53) EGFRERBB2ERBB4JAK3
SCHEMBL8367919 0.85 EGFR (0.54) EGFRERBB2ERBB4JAK3
SCHEMBL8363554 0.84 EGFR (0.47) EGFRERBB2KDRHSD17B10BRAF
SCHEMBL8367972 0.84 EGFR (0.54) EGFRERBB2ERBB4AURKB
SCHEMBL8367387 0.84 EGFR (0.50) EGFRERBB2HSD17B10BRAF
SCHEMBL8541789 0.83 EGFR (0.47) EGFRERBB2KDRHSD17B10BRAF

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