SCHEMBL97698

SCHEMBL97698

CCc1nc(SCc2ccc(OC)c(N)c2)nc2c1nc(N)n2C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
ALDH1A1 P00352 4/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
DCK P27707 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RAB9A P51151 1/20 0.33
TP53 P04637 1/20 0.33
ALOX12 P18054 1/20 0.33
QPCT Q16769 1/20 0.32
QPCTL Q9NXS2 1/20 0.32
PARP1 P09874 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
SCHEMBL98641 0.87 GSK3B (0.39) GAAALDH1A1L3MBTL1MAPTMEN1
SCHEMBL98783 0.78 ALDH1A1 (0.39) GAAALDH1A1L3MBTL1SMN1; SMN2TDP1
SCHEMBL171639 0.75 PAK4 (0.36) GAAALDH1A1L3MBTL1LMNAMAPT
SCHEMBL98098 0.74 PIK3CA (0.49) GAAALDH1A1L3MBTL1LMNA
SCHEMBL171439 0.72 SMN1; SMN2 (0.35) ALDH1A1L3MBTL1SMN1; SMN2LMNAMAPT
SCHEMBL97857 0.72 GAA (0.36) GAAALDH1A1L3MBTL1SMN1; SMN2TDP1
SCHEMBL97697 0.72 CCNE2 (0.42) GAAMEN1KMT2ATP53
SCHEMBL97830 0.71 ALDH1A1 (0.34) GAAALDH1A1L3MBTL1SMN1; SMN2ALOX12
SCHEMBL98279 0.71 YTHDC1 (0.43) GAAL3MBTL1SMN1; SMN2TDP1LMNA
SCHEMBL99660 0.71 GAA (0.38) GAAALDH1A1L3MBTL1SMN1; SMN2TDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2426130-B1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME ZENYAKU KOGYO KK (JP) 2015-03-11 EP disclosed
EP-2426130-A1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2012-03-07 EP disclosed