SCHEMBL8364147

SCHEMBL8364147

CCCNCCCCOc1ccc2c(Nc3ccc(S(=O)(=O)c4ccccc4)cc3)ncnc2c1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.73
ERBB2 P04626 8/20 0.73
AURKA O14965 8/20 0.50
AURKB Q96GD4 8/20 0.50
CSF1R P07333 1/20 0.48
BRAF P15056 1/20 0.45
TNNI3K Q59H18 1/20 0.45

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
SCHEMBL8363548 0.85 EGFR (1.00) EGFRERBB2
SCHEMBL3320599 0.82 EGFR (0.76) EGFRERBB2AURKBCSF1R
SCHEMBL8361665 0.80 EGFR (0.87) EGFRERBB2AURKB
SCHEMBL8537365 0.79 EGFR (0.63) EGFRERBB2AURKAAURKBCSF1R
SCHEMBL8360741 0.79 EGFR (0.90) EGFRERBB2
SCHEMBL8368189 0.78 EGFR (0.87) EGFRERBB2AURKB
SCHEMBL8364953 0.77 AURKA (0.55) EGFRERBB2AURKAAURKBBRAF
SCHEMBL8364217 0.76 EGFR (0.65) EGFRERBB2
SCHEMBL8367271 0.75 EGFR (0.82) EGFRERBB2AURKB
SCHEMBL12694408 0.74 EGFR (0.68) EGFRERBB2AURKAAURKBCSF1R

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