SCHEMBL4473290

SCHEMBL4473290

Nc1ncc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(N)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
KMT2A Q03164 2/20 0.53
GAA P10253 2/20 0.53
MEN1 O00255 1/20 0.53
JAK2 O60674 1/20 0.52
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 4/20 0.49
HSD17B10 Q99714 4/20 0.49
USP2 O75604 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 1/20 0.48
ALOX5AP P20292 2/20 0.47
FEN1 P39748 2/20 0.47
HPGD P15428 3/20 0.47
CCNE2 O96020 1/20 0.47
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47
GSK3B P49841 1/20 0.47
MAPT P10636 1/20 0.46
AXL P30530 1/20 0.46

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
SCHEMBL2558872 0.79 DHFR (0.60) CDK2
SCHEMBL6985080 0.78 KMT2A (0.60) POLBKMT2AGAAMEN1JAK2
SCHEMBL28267331 0.77 KMT2A (0.52) POLBKMT2AGAAMEN1JAK2
SCHEMBL264111 0.74 HRH3 (0.56) JAK2
SCHEMBL12793245 0.74 POLB (0.88) POLBKMT2AGAAMEN1ALDH1A1
SCHEMBL264497 0.73 NPSR1 (0.51) KMT2AGAAMEN1ALDH1A1KDM4E
SCHEMBL78621 0.73 POLB (0.73) POLBKMT2AGAAMEN1ALDH1A1
SCHEMBL19951018 0.73 ALDH1A1 (0.67) POLBKMT2AGAAMEN1ALDH1A1
SCHEMBL13968125 0.72 KCNH2 (0.59) POLBKMT2AGAAMEN1JAK2
SCHEMBL2933507 0.72 CCNE2 (0.56) POLBKMT2AGAAMEN1JAK2

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-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO claimed