SCHEMBL4050893

SCHEMBL4050893

CN(C)S(=O)(=O)c1cccc(-c2ccnc3c(I)c(-c4ccncc4)nn23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 4/20 0.41
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 2/20 0.41
GFER P55789 2/20 0.41
GLA P06280 1/20 0.41
MAPK1 P28482 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
BRAF P15056 3/20 0.38
HTR6 P50406 1/20 0.38
HSD17B10 Q99714 2/20 0.38
HPGD P15428 2/20 0.38
TP53 P04637 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
SCHEMBL4056069 0.83 BRAF (0.56) PI4KBBRAFCHEK1ABL1PRKCB
SCHEMBL4058317 0.82 BRAF (0.57) ALDH1A1BRAFCHEK1ABL1PRKCB
SCHEMBL4053315 0.80 BRAF (0.54) PI4KBBRAFCHEK1ABL1PRKCB
SCHEMBL4059789 0.80 BRAF (0.51) PI4KBBRAFCHEK1ABL1PRKCB
SCHEMBL4054020 0.78 BRAF (0.51) ALDH1A1KDM4EGAAGFERGLA
SCHEMBL4052002 0.78 BRAF (0.56) PI4KBBRAFCHEK1ABL1PRKCB
SCHEMBL4053209 0.78 BRAF (0.49) ALDH1A1KDM4EGAAGFERGLA
SCHEMBL4061796 0.78 BRAF (0.47) BRAFABL1MAPK14
SCHEMBL4053487 0.78 BRAF (0.61) BRAFABL1MAPK14
SCHEMBL4061307 0.78 BRAF (0.43) BRAFABL1MAPK14

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-2009111260-A1 PHENYLSULFONAMIDE-SUBSTITUTED, PYRAZOLO[1, 5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF WYETH (US) 2009-09-11 WO disclosed