SCHEMBL16626730

SCHEMBL16626730

CNCc1cn([S+]([O-])c2cccnc2)c2cc(Nc3ccc4ncccc4c3)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.38
ERBB2 P04626 2/20 0.38
ERBB4 Q15303 2/20 0.38
NAMPT P43490 2/20 0.35
TERT O14746 2/20 0.35
AURKA O14965 1/20 0.35
JAK2 O60674 2/20 0.34
JAK3 P52333 1/20 0.34
PTK2 Q05397 1/20 0.34
NPC1 O15118 2/20 0.33
ABL1 P00519 1/20 0.33
SRC P12931 1/20 0.33
MAPT P10636 2/20 0.33
DHFR P00374 1/20 0.33
HTT P42858 1/20 0.33
ABCB1 P08183 1/20 0.33
ABCC1 P33527 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
IGF1R P08069 1/20 0.33
GRM4 Q14833 1/20 0.32

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
SCHEMBL16626457 0.86 PARP14 (0.33) GRM4
SCHEMBL19984214 0.85 MEN1 (0.32) EGFRNAMPTMAPTALDH1A1LMNA
SCHEMBL19984136 0.85 MEN1 (0.39) EGFRNAMPTMAPTMEN1KMT2A
SCHEMBL16626468 0.84 METAP2 (0.30)
SCHEMBL16626715 0.84 GRM4 (0.33) EGFRGRM4
SCHEMBL16626464 0.83 NAMPT (0.35) NAMPTJAK2JAK3PTK2GRM4
SCHEMBL16626476 0.82
SCHEMBL16626459 0.82 GAA (0.39) NAMPTNPC1MAPTALDH1A1LMNA
SCHEMBL16626672 0.82 ALDH1A1 (0.35) NAMPTNPC1MAPTHTTALDH1A1
SCHEMBL16626433 0.82 EGFR (0.33) EGFR

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-2015050412-A1 SULFONYLINDOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2015-04-09 WO disclosed