SCHEMBL8611220

SCHEMBL8611220

CN(CCCCNc1ccc2ncnc(Nc3ccc(S(=O)(=O)c4ccccc4)cc3)c2c1)CCS(C)(=O)=O

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.62
ERBB2 P04626 9/20 0.62
BRAF P15056 1/20 0.44
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
HIF1A Q16665 1/20 0.42
CLK4 Q9HAZ1 1/20 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
SCHEMBL8613930 0.97 EGFR (0.61) EGFRERBB2BRAFMEN1USP2
SCHEMBL8364550 0.89 EGFR (0.55) EGFRERBB2
SCHEMBL8366126 0.88 EGFR (0.79) EGFRERBB2BRAF
SCHEMBL8618856 0.87 EGFR (0.63) EGFRERBB2BRAFMEN1USP2
SCHEMBL8367021 0.86 EGFR (0.55) EGFRERBB2
SCHEMBL8361621 0.86 EGFR (0.76) EGFRERBB2BRAF
SCHEMBL8542447 0.85 EGFR (0.61) EGFRERBB2BRAFMEN1USP2
SCHEMBL8367172 0.84 EGFR (0.56) EGFRERBB2BRAFMEN1USP2
SCHEMBL8367350 0.84 EGFR (0.73) EGFRERBB2BRAFMEN1USP2
SCHEMBL8365881 0.83 EGFR (0.57) EGFRERBB2BRAFMEN1USP2

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