SCHEMBL6271807

SCHEMBL6271807

O=S(=O)(c1ccccc1F)N1CCc2cc(Nc3ncnc4cc(C#CN5CCCC5)sc34)ccc21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.39
ERBB2 P04626 13/20 0.39
ERBB4 Q15303 1/20 0.35
PIP4K2A P48426 1/20 0.35
PIP4K2C Q8TBX8 1/20 0.35
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MKNK1 Q9BUB5 2/20 0.34
CHEK1 O14757 1/20 0.33
FLT3 P36888 1/20 0.33
EIF2AK3 Q9NZJ5 1/20 0.33

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
SCHEMBL6233688 0.90 EGFR (0.36) EGFRERBB2ERBB4PIP4K2APIP4K2C
SCHEMBL6271804 0.86 EGFR (0.52) EGFRERBB2ERBB4
SCHEMBL6271801 0.86 EGFR (0.52) EGFRERBB2ERBB4
SCHEMBL6234112 0.86 ALDH1A1 (0.41) EGFRERBB2PIP4K2APIP4K2CMKNK1
SCHEMBL6269171 0.84 EGFR (0.41) EGFRERBB2ERBB4MAPT
Formic Acid SCHEMBL6256982 0.74 EGFR (0.46) EGFRERBB2ERBB4
Formic Acid SCHEMBL6256978 0.74 EGFR (0.46) EGFRERBB2ERBB4
SCHEMBL6236350 0.72 FLT1 (0.49) EGFRERBB2
SCHEMBL6269166 0.70 EGFR (0.54) EGFRERBB2ERBB4
SCHEMBL6269168 0.70 EGFR (0.54) EGFRERBB2ERBB4

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-2005007083-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-01-27 WO claimed