SCHEMBL6923033

SCHEMBL6923033

O=S(=O)(c1ccccc1)c1ccc(Nc2ncnc3sccc23)cc1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 8/20 0.73
PIP4K2C Q8TBX8 2/20 0.73
PIP4K2B P78356 1/20 0.68
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
RAB9A P51151 4/20 0.57
NPC1 O15118 3/20 0.57
ALDH1A1 P00352 1/20 0.55
GAA P10253 1/20 0.55
EGFR P00533 2/20 0.53
FADS1 O60427 1/20 0.53
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
RAF1 P04049 1/20 0.52
PDGFRB P09619 1/20 0.52
KIT P10721 1/20 0.52
FLT4 P35916 1/20 0.52
KDR P35968 1/20 0.52

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
SCHEMBL2376175 0.85 MEN1 (0.72) PIP4K2APIP4K2CPIP4K2BKMT2AMEN1
SCHEMBL6979258 0.79 ABCG2 (0.69) KMT2ARAB9ANPC1GAAEGFR
SCHEMBL16363310 0.76 KMT2A (0.73) PIP4K2APIP4K2CPIP4K2BKMT2AMEN1
SCHEMBL30827872 0.76 PIP4K2A (0.64) PIP4K2APIP4K2CPIP4K2BKMT2AMEN1
SCHEMBL2987637 0.73 EGFR (0.73) KMT2AMEN1EGFR
SCHEMBL3322206 0.72 EGFR (0.56) KMT2AMEN1EGFRRAF1
SCHEMBL13804575 0.72 EGFR (0.56) KMT2AMEN1EGFRRAF1
SCHEMBL3324098 0.72 EGFR (0.57) PIP4K2AKMT2AMEN1ALDH1A1EGFR
SCHEMBL4258181 0.72 ELANE (0.50) PIP4K2APIP4K2CPIP4K2BRAB9ANPC1
SCHEMBL8807167 0.71 EGFR (0.75) EGFRKDR

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-2004112714-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-29 WO disclosed